%chk=000173250.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173250

0 1
 O   -2.440700     -0.6364000      -2.173200    
 O   0.8808000       2.783100     -0.4823000    
 O    1.953600      -2.442600     -6.6000000E-02
 O    4.023000     -0.7557000      0.2841000    
 N   -2.984200      8.2199998E-02   1.487400    
 N   -1.247700      0.8211000     -0.7010000    
 C   -3.162600     -0.2954000      8.8799998E-02
 C   -3.219700       1.135500      0.5076000    
 C   -1.992000     -0.4583000     -0.8336000    
 C   -2.053200       1.873500     -8.3899997E-02
 C  -0.9095000      -1.485000     -0.5111000    
 C   9.2699997E-02  0.5642000     -0.4841000    
 C   -4.060700     -0.1642000       2.417000    
 C   0.3401000     -0.7440000     -0.3816000    
 C    1.133000       1.590400     -0.3482000    
 C   -1.117700      -2.797900     -0.3659000    
 C    1.697800      -1.245400     -0.1325000    
 C    2.521300       1.101400     -5.3300001E-02
 C    2.773800     -0.2212000      3.7500001E-02
 C    3.534100       2.200500      0.1209000    
 C    4.238000     -0.9058000       1.673400    
 H   -4.061100     -0.8266000     -0.1871000    
 H   -4.156200       1.671100      0.5188000    
 H   -2.391000       2.576900     -0.8513000    
 H   -1.509100       2.420400      0.6930000    
 H   -4.010700      0.5471000       3.247700    
 H   -3.966500      -1.171200       2.835700    
 H   -5.056500     -8.4600002E-02   1.965000    
 H   -2.790900      0.2203000      -2.471300    
 H   -2.113100      -3.213700     -0.4855000    
 H  -0.3222000      -3.492300     -0.1248000    
 H    3.269400       2.832200      0.9751000    
 H    3.581000       2.825100     -0.7774000    
 H    4.540500       1.808400      0.2966000    
 H    3.511700      -1.593600       2.120100    
 H    4.205900      5.8699999E-02   2.192100    
 H    5.235600      -1.331100       1.819100    


%chk=000173250-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173250

0 1
O -2.366892 -0.966157 -2.126591
O 0.644987 2.970626 -0.352391
O 1.976339 -2.312928 0.615348
O 3.975014 -0.204805 0.856433
N -2.940785 0.400092 1.374812
N -1.274732 0.794847 -0.760385
C -3.209891 -0.289944 0.063755
C -3.386325 1.225465 0.190885
C -1.959640 -0.551203 -0.781678
C -2.206651 1.921548 -0.496966
C -0.864057 -1.519927 -0.313692
C 0.023739 0.638712 -0.333637
C -3.945496 0.170007 2.443973
C 0.335955 -0.703950 -0.093365
C 0.996860 1.755661 -0.141550
C -1.030673 -2.864661 -0.204043
C 1.654950 -1.101881 0.336863
C 2.350266 1.375046 0.282858
C 2.667795 0.032518 0.482770
C 3.379882 2.463001 0.475540
C 4.560537 -1.552577 1.058897
H -4.056402 -0.979924 -0.028994
H -4.378664 1.690529 0.193474
H -2.522954 2.407163 -1.439716
H -1.709075 2.676530 0.130000
H -3.892635 1.010025 3.157697
H -3.678815 -0.758958 2.976302
H -4.995216 0.080350 2.079587
H -3.090800 -0.362677 -2.444184
H -1.994737 -3.333347 -0.426516
H -0.191174 -3.503281 0.083612
H 2.928206 3.443924 0.259582
H 4.249565 2.308830 -0.189092
H 3.770994 2.462894 1.509514
H 4.445567 -2.172485 0.156019
H 4.081132 -2.064527 1.906690
H 5.620826 -1.337434 1.263988


