%chk=000018108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018108

0 1
 O  -0.4018000       2.443400      -1.306300    
 N   -3.589900      -1.028500      0.2784000    
 N  -0.2745000      0.4759000      -2.435900    
 C   2.2500001E-02  0.4207000      4.0399998E-02
 C  -4.0399998E-02   1.378200       1.310600    
 C   -1.173600     -0.6052000      0.1427000    
 C    1.414000     -0.2663000     -1.8200001E-02
 C   -2.578900      2.0600000E-02  0.1739000    
 C  -0.2659000       1.219300      -1.274700    
 C   0.9712000       2.536200       1.292900    
 C   8.4799998E-02  0.6532000       2.662200    
 C    2.390900      0.3379000     -0.7562000    
 C    1.577100      -1.432900      0.6719000    
 C    3.640900     -0.2790000     -0.8088000    
 C    2.827200      -2.049500      0.6194000    
 C   -3.539100      -1.907800     -0.8899000    
 C   -4.923500     -0.4437000      0.4186000    
 C    3.859000      -1.472500     -0.1210000    
 H   -1.015700       1.879100       1.305400    
 H   -1.086600      -1.233500       1.034500    
 H   -1.075400      -1.297000     -0.7007000    
 H   -2.755100      0.6454000     -0.7093000    
 H   -2.671100      0.6626000       1.055100    
 H    1.996000       2.173600       1.423700    
 H   0.9440000       3.140800      0.3867000    
 H   0.7703000       3.219200       2.127200    
 H    1.076400      0.2159000       2.807700    
 H  -0.6693000     -0.1260000       2.791700    
 H  -6.7400001E-02   1.366300       3.481500    
 H    2.259600       1.277400      -1.280600    
 H   0.8124000      -1.906100       1.272500    
 H  -0.1062000     -0.5243000      -2.451100    
 H  -0.4335000      0.9202000      -3.334000    
 H    4.446400      0.1733000      -1.380200    
 H    2.999200      -2.976600       1.158500    
 H   -2.671300      -2.573400     -0.8660000    
 H   -3.546000      -1.352700      -1.835200    
 H   -4.405000      -2.581600     -0.8973000    
 H   -5.677000      -1.228100      0.5512000    
 H   -4.975600      0.1906000       1.310700    
 H   -5.203700      0.1608000     -0.4518000    
 H    4.833000      -1.951500     -0.1599000    


%chk=000018108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018108

0 1
O -0.851921 2.415850 -1.278810
N -3.624635 -1.045344 0.304355
N 0.052589 0.661725 -2.474642
C 0.000755 0.459317 0.017922
C -0.064763 1.447143 1.257300
C -1.167868 -0.596654 0.078163
C 1.371138 -0.256330 -0.048945
C -2.595283 -0.012555 0.012451
C -0.275991 1.286392 -1.282723
C 1.060128 2.511022 1.265623
C -0.092137 0.707696 2.615492
C 2.500034 0.390220 -0.628874
C 1.574877 -1.546512 0.511333
C 3.770417 -0.223178 -0.651501
C 2.845997 -2.165049 0.491961
C -3.737042 -2.069544 -0.755650
C -4.938195 -0.431831 0.596598
C 3.952316 -1.508011 -0.089938
H -1.013073 2.004040 1.132516
H -1.105499 -1.171753 1.017842
H -1.020202 -1.316390 -0.749712
H -2.772074 0.473017 -0.979562
H -2.704460 0.779276 0.775493
H 2.052171 2.058649 1.445422
H 1.088371 3.078218 0.319546
H 0.870453 3.235767 2.079146
H 0.802172 0.069600 2.744116
H -0.990085 0.077347 2.742763
H -0.092318 1.447607 3.437117
H 2.383491 1.385639 -1.070962
H 0.739206 -2.084969 0.968086
H 0.590850 -0.203440 -2.495909
H -0.174567 1.137208 -3.347782
H 4.617606 0.303154 -1.105845
H 2.968567 -3.161025 0.932812
H -2.782740 -2.609839 -0.875672
H -4.020932 -1.639506 -1.751195
H -4.506376 -2.809241 -0.470363
H -5.659945 -1.217912 0.883323
H -4.841360 0.268897 1.444817
H -5.368826 0.132809 -0.269587
H 4.937554 -1.987106 -0.106223


