%chk=000040700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040700

0 1
 O  -0.6733000     -0.4926000     -0.5405000    
 O  -0.6691000       2.309900      -1.117900    
 O    1.828800      -1.163000      -1.273200    
 O  -0.8475000       2.850400       1.112500    
 N    5.032800      0.5020000     -0.4035000    
 N    2.445900      -1.668600      0.9129000    
 C   -2.650600      -2.536700     -0.5045000    
 C   -2.951500      -1.119200     -0.1436000    
 C   -1.952500     -0.1463000     -0.1739000    
 C   -2.252800       1.172700      0.1662000    
 C    4.818000      -1.192700       1.391200    
 C   -4.251000     -0.7731000      0.2271000    
 C   -3.441300      -3.008700      -1.738500    
 C   -2.885900      -3.504100      0.6700000    
 C    4.776800      0.2915000       1.016200    
 C   -3.552200       1.518700      0.5371000    
 C    3.803300      -2.059600      0.6482000    
 C   -4.551300      0.5459000      0.5676000    
 C   0.2035000     -0.9013000      0.4876000    
 C   -3.903900       2.923000      0.9073000    
 C    1.564300      -1.249600     -7.7100001E-02
 C   -1.204900       2.187500      0.1331000    
 C    4.470600       1.779600     -0.8452000    
 C    6.469700      0.4572000     -0.6806000    
 C   0.3740000       3.277200      -1.278700    
 H   -1.595800      -2.646900     -0.7798000    
 H    4.627500      -1.272600       2.469600    
 H    5.822000      -1.601600       1.230500    
 H   -5.045900      -1.513000      0.2588000    
 H    3.780300      0.6681000       1.282600    
 H    5.482500      0.8544000       1.641300    
 H   -3.265800      -2.342800      -2.590900    
 H   -3.130300      -4.017600      -2.030900    
 H   -4.519900      -3.035700      -1.550100    
 H   -2.565500      -4.517000      0.4025000    
 H   -2.315100      -3.193600       1.552100    
 H   -3.942200      -3.555000      0.9550000    
 H    3.900300      -3.095700      0.9906000    
 H    3.999400      -2.056000     -0.4289000    
 H   -5.568400      0.7981000      0.8558000    
 H  -0.1920000      -1.782900       1.004700    
 H   0.3346000     -9.2100002E-02   1.216000    
 H    2.113200      -1.737500       1.870500    
 H   -3.560700       3.627500      0.1423000    
 H   -4.987700       3.057800      0.9958000    
 H   -3.459300       3.186600       1.872300    
 H    3.384100       1.789600     -0.7055000    
 H    4.646900       1.928800      -1.916300    
 H    4.899000       2.629600     -0.3020000    
 H    6.896900     -0.5170000     -0.4230000    
 H    7.022500       1.232900     -0.1379000    
 H    6.654300      0.5960000      -1.752100    
 H  -2.8700000E-02   4.284800      -1.141200    
 H    1.184900       3.085900     -0.5698000    
 H   0.7675000       3.188300      -2.294600    


%chk=000040700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040700

0 1
O -0.408491 -0.366539 0.024740
O -1.275153 3.252511 1.457464
O 2.367754 -2.432600 0.371659
O 0.036470 1.466318 2.111245
N 5.405443 -0.817053 -1.041362
N 2.187072 -0.258947 1.246220
C -2.403658 -2.061833 -1.314830
C -2.771147 -0.903773 -0.382871
C -1.782845 -0.099243 0.245247
C -2.131935 1.054950 1.017591
C 4.124994 0.948261 0.184068
C -4.124835 -0.569159 -0.141495
C -3.048098 -1.882516 -2.715247
C -2.799759 -3.432623 -0.701240
C 4.284316 0.149090 -1.130751
C -3.507453 1.382601 1.232439
C 3.626541 0.042037 1.336316
C -4.483136 0.532531 0.658906
C 0.141778 -1.513952 0.805690
C -3.969815 2.569357 2.061826
C 1.678263 -1.440152 0.774230
C -1.027334 1.886167 1.583683
C 5.155324 -2.100062 -1.727792
C 6.710376 -0.225214 -1.380180
C -0.219693 4.150076 1.989683
H -1.308329 -2.044490 -1.459109
H 3.419214 1.790653 0.034311
H 5.101210 1.386652 0.471456
H -4.914983 -1.178197 -0.595988
H 3.351912 -0.413582 -1.316218
H 4.412839 0.852737 -1.990864
H -2.758174 -0.917148 -3.166699
H -2.718361 -2.693034 -3.390872
H -4.152242 -1.918656 -2.663359
H -2.488113 -4.258025 -1.367327
H -2.327375 -3.590893 0.285363
H -3.895132 -3.503362 -0.563269
H 3.815960 0.523079 2.314690
H 4.186179 -0.909092 1.295663
H -5.542184 0.752351 0.834246
H -0.161301 -2.472337 0.351713
H -0.229077 -1.449419 1.847600
H 1.506003 0.451878 1.552607
H -3.824374 3.516087 1.513225
H -5.041065 2.467626 2.305648
H -3.408913 2.663325 3.008083
H 4.222412 -2.540228 -1.336479
H 5.982865 -2.800669 -1.508931
H 5.076128 -2.005682 -2.841456
H 6.883745 0.688154 -0.782424
H 6.803449 0.053575 -2.462614
H 7.519230 -0.940529 -1.143150
H -0.045384 3.947567 3.059655
H 0.720551 3.999066 1.433489
H -0.613169 5.163859 1.832971


