%chk=000119031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119031

0 1
 O   -1.372100      -2.206700      4.5299999E-02
 O   0.1767000      0.8358000       1.678600    
 O    2.719000       1.250900      -1.265400    
 O   -3.729000      -1.185100      -1.400600    
 O   -5.829000      -1.392500      0.2879000    
 N   0.9079000     -0.4225000     -0.1257000    
 N    3.894400       1.222000      0.7306000    
 N   -4.516300      -1.292100      0.7674000    
 C    2.949800      -1.865800     -0.1596000    
 C    2.278400     -0.5415000      0.3109000    
 C   -1.430900      0.2260000     -3.7599999E-02
 C   -2.250000       1.492200      0.2960000    
 C   -1.935700       2.717600     -0.5911000    
 C  -4.3499999E-02  0.2694000      0.6101000    
 C    4.391700      -2.008300      0.3647000    
 C    2.979700      -1.941100      -1.699100    
 C    2.126600      -3.069100      0.3507000    
 C   -2.139100      -1.072200      0.4177000    
 C    2.974900      0.7270000     -0.1822000    
 C  -0.4590000       3.095300     -0.4399000    
 C   -2.809700       3.926500     -0.2520000    
 C   -3.534000      -1.191900     -0.1870000    
 C    4.649300       2.426400      0.4803000    
 H    2.274300     -0.5267000       1.409200    
 H   -1.297000      0.1802000      -1.127400    
 H   -2.126300       1.761400       1.352900    
 H   -3.319600       1.291400      0.1690000    
 H   -2.121200       2.452300      -1.639500    
 H   0.6448000     -0.7967000      -1.031400    
 H    4.420100      -1.931000       1.457100    
 H    4.821100      -2.978100      8.8600002E-02
 H    5.048400      -1.234700     -4.6799999E-02
 H    3.570300      -1.128400      -2.134200    
 H    1.980700      -1.911700      -2.144200    
 H    3.442700      -2.879400      -2.029000    
 H    2.014600      -3.034200       1.440100    
 H    2.616300      -4.017000      9.8999999E-02
 H    1.127100      -3.099000     -9.2500001E-02
 H   -2.203000      -1.083300       1.512200    
 H  -0.1789000       3.239900      0.6082000    
 H  -0.2540000       4.037100     -0.9625000    
 H   0.1970000       2.351200     -0.8960000    
 H   -2.650300       4.253100      0.7812000    
 H   -2.586800       4.769400     -0.9145000    
 H   -3.870100       3.679900     -0.3691000    
 H    4.075800      0.7146000       1.591500    
 H   -1.235000      -2.172800     -0.9168000    
 H    4.010700       3.179500      1.1000000E-02
 H    5.035000       2.800900       1.431100    
 H    5.479200       2.183200     -0.1880000    
 H   -4.380900      -1.420900       1.763500    
 H   -6.099100     -0.4595000      0.3302000    


%chk=000119031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119031

0 1
O -1.488128 -2.329920 -0.486756
O -0.013346 -0.109063 1.836261
O 2.894354 1.022853 -1.824038
O -3.766752 -1.307901 -1.827813
O -6.016573 -1.159081 -0.381263
N 0.965562 -0.131940 -0.277127
N 4.217945 1.362412 0.062888
N -4.720411 -1.132519 0.241873
C 2.896140 -1.749585 0.071120
C 2.348569 -0.266773 0.197338
C -1.488475 0.143331 -0.104581
C -2.266920 1.335181 0.517413
C -1.884337 2.741106 -0.024093
C -0.113592 -0.033626 0.569644
C 4.335814 -1.816647 0.646352
C 2.900720 -2.218876 -1.406762
C 1.970195 -2.678313 0.901540
C -2.238453 -1.213627 0.102732
C 3.178828 0.756694 -0.611112
C -0.438726 3.163929 0.332704
C -2.894022 3.787799 0.506867
C -3.617954 -1.206714 -0.553770
C 5.112760 2.339136 -0.572009
H 2.343083 -0.006568 1.274017
H -1.378909 0.297195 -1.197672
H -2.119166 1.307633 1.615848
H -3.349438 1.194737 0.327331
H -1.973639 2.711912 -1.131788
H 0.861873 0.032736 -1.283126
H 4.370419 -1.453149 1.692943
H 4.683541 -2.865818 0.653927
H 5.053105 -1.229702 0.044725
H 3.521047 -1.569193 -2.049217
H 1.876242 -2.232603 -1.821030
H 3.297254 -3.249296 -1.468019
H 1.925835 -2.362878 1.959992
H 2.353790 -3.715409 0.862340
H 0.940868 -2.677736 0.503541
H -2.293337 -1.427115 1.185336
H -0.285753 3.139540 1.428362
H -0.242156 4.194076 -0.018531
H 0.317731 2.506115 -0.129813
H -2.853878 3.843175 1.612102
H -2.666262 4.794768 0.111341
H -3.931245 3.534973 0.216725
H 4.376906 1.106984 1.038647
H -1.723094 -2.354842 -1.454817
H 4.744465 2.508212 -1.596239
H 5.104054 3.297996 -0.022971
H 6.151148 1.962306 -0.622249
H -4.780814 -1.101994 1.258256
H -5.760870 -1.262909 -1.354463


