%chk=000038636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038636

0 1
 O   -1.020000     -0.1969000      -2.443800    
 N   -1.077300      -1.767300     -0.6852000    
 N   -1.074600      -2.927200      -1.417400    
 N    6.482200      0.4573000      0.1773000    
 C   -1.043200      0.5242000     -7.4600004E-02
 C   0.2363000       1.354900     -0.1027000    
 C   -1.098500     -0.4035000       1.129900    
 C   -1.043600     -0.4925000      -1.257300    
 C    1.474900      0.4708000      2.8999999E-02
 C   -2.250900       1.401700     -0.1662000    
 C   -1.113800      -1.735700      0.7074000    
 C    2.752700       1.313000      3.0700000E-02
 C   -1.127200     -9.1100000E-02   2.479600    
 C    4.034100      0.4754000      8.8500001E-02
 C   -1.160700      -2.788200       1.604400    
 C   -3.515400      0.8304000     -0.2876000    
 C   -2.106300       2.786600     -0.1291000    
 C   -1.175100      -1.141400       3.399800    
 C   -1.191900      -2.478000       2.965600    
 C    5.307300       1.320400      0.1163000    
 C   -2.269800      -3.000400      -2.260100    
 C   0.1353000      -3.009100      -2.237900    
 C   -4.641900       1.648500     -0.3728000    
 C   -3.233000       3.604700     -0.2142000    
 C   -4.500600       3.035600     -0.3360000    
 C    6.514400     -0.4498000     -0.9708000    
 C    7.706500       1.257700      0.2272000    
 H   0.2758000       2.057800      0.7403000    
 H   0.3212000       1.926900      -1.036700    
 H    1.462300     -0.1119000      0.9560000    
 H    1.531500     -0.2396000     -0.8035000    
 H    2.733000       1.996900      0.8885000    
 H    2.778000       1.937200     -0.8714000    
 H   -1.112900      0.9383000       2.820600    
 H    4.006000     -0.1765000     -0.7911000    
 H    4.000200     -0.1721000      0.9741000    
 H   -1.173700      -3.822100       1.278300    
 H   -3.656800     -0.2463000     -0.3172000    
 H   -1.160500       3.306400     -3.9200000E-02
 H   -1.199000     -0.9238000       4.464300    
 H   -1.229100      -3.278600       3.699600    
 H    5.277800       1.967000       1.002100    
 H    5.337400       1.975600     -0.7641000    
 H   -2.301400      -2.245400      -3.052600    
 H   -3.177700      -2.900000      -1.653400    
 H   -2.324800      -3.984700      -2.739200    
 H   0.1975000      -3.999200      -2.704400    
 H    1.032900      -2.903300      -1.616900    
 H   0.1822000      -2.265400      -3.040000    
 H   -5.629000       1.205700     -0.4672000    
 H   -3.124600       4.685100     -0.1862000    
 H   -5.377700       3.672700     -0.4024000    
 H    7.480000     -0.9687000      -1.019000    
 H    6.373900      7.2200000E-02  -1.924400    
 H    5.775000      -1.251500     -0.8802000    
 H    7.697700       1.920500       1.099900    
 H    7.836200       1.871800     -0.6714000    
 H    8.585500      0.6124000      0.3348000    


%chk=000038636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038636

0 1
O -0.919406 -0.137065 -2.465346
N -1.260731 -1.799953 -0.812579
N -1.345231 -2.964466 -1.630142
N 6.654460 0.655573 0.225897
C -1.070874 0.448775 0.002551
C 0.259807 1.275586 0.038651
C -1.162140 -0.564001 1.142745
C -1.070462 -0.479665 -1.261606
C 1.554431 0.434560 0.045950
C -2.284626 1.409275 -0.098184
C -1.290260 -1.871639 0.609120
C 2.819364 1.321391 0.090344
C -1.105814 -0.395116 2.535502
C 4.129351 0.501274 0.074972
C -1.392145 -3.017189 1.414261
C -3.304570 1.452201 0.885162
C -2.382797 2.281443 -1.216371
C -1.199698 -1.536109 3.376291
C -1.348208 -2.828973 2.818420
C 5.379688 1.403903 0.094566
C -2.535022 -2.925143 -2.524115
C -0.063019 -3.245154 -2.334335
C -4.383402 2.358982 0.767022
C -3.460521 3.183736 -1.334654
C -4.464808 3.232595 -0.339598
C 6.953007 -0.196546 -0.942839
C 7.783930 1.553970 0.542203
H 0.226648 1.925646 0.935665
H 0.266692 1.944092 -0.842660
H 1.557108 -0.252134 0.915172
H 1.589548 -0.197119 -0.865217
H 2.791592 1.954905 1.001821
H 2.808358 2.017365 -0.774636
H -0.986830 0.602896 2.972606
H 4.132789 -0.145096 -0.825084
H 4.168391 -0.170467 0.954719
H -1.492174 -4.006343 0.958601
H -3.264498 0.772595 1.741293
H -1.631760 2.225062 -2.011054
H -1.157612 -1.414661 4.463968
H -1.423456 -3.699089 3.480327
H 5.306617 2.084389 0.966112
H 5.377759 2.053817 -0.822820
H -2.466294 -2.138321 -3.303501
H -3.436737 -2.753738 -1.913696
H -2.624658 -3.912310 -3.010362
H -0.150618 -4.236071 -2.813175
H 0.751775 -3.288981 -1.592476
H 0.182650 -2.486762 -3.106184
H -5.160941 2.377424 1.539408
H -3.519859 3.844465 -2.207034
H -5.301154 3.934897 -0.430391
H 7.902835 -0.734204 -0.771499
H 7.051267 0.384665 -1.896981
H 6.161143 -0.951377 -1.081788
H 7.566199 2.113515 1.469685
H 8.002836 2.298797 -0.266661
H 8.698879 0.957400 0.709957


