%chk=000233346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233346

0 1
O 5.075909 0.074994 0.054017
N -1.506258 0.244088 -0.240334
N 1.367372 -0.156274 -0.061001
C -0.945018 -1.142868 -0.151592
C 0.482288 -1.137785 -0.767599
C -0.623280 1.209744 0.493179
C 0.773467 1.216988 -0.158107
C -2.944094 0.364582 0.209200
C -0.924596 -1.751023 1.258812
C 2.754091 -0.183850 -0.623733
C -3.818854 -0.706918 -0.459175
C -3.466079 1.757912 -0.184224
C 3.722306 0.163904 0.521452
H -1.578826 -1.792022 -0.813601
H 0.927840 -2.148652 -0.651845
H 0.399250 -0.931517 -1.856981
H -0.533402 0.970409 1.575479
H -1.061548 2.228846 0.416460
H 0.692888 1.580278 -1.206247
H 1.431453 1.923505 0.389623
H -3.026138 0.249885 1.322918
H -0.629771 -2.804397 1.231145
H -0.193586 -1.236347 1.898056
H -1.900099 -1.691311 1.747914
H 2.904128 0.499741 -1.484292
H 3.002948 -1.201373 -0.998599
H -4.880553 -0.519934 -0.265408
H -3.681092 -0.707845 -1.548085
H -3.594436 -1.713849 -0.093050
H -2.932206 2.559232 0.338341
H -4.530247 1.860417 0.047429
H -3.338041 1.932723 -1.260488
H 3.686312 -0.588958 1.332140
H 3.541266 1.166318 0.942443
H 5.255205 0.756059 -0.620148


%chk=000233346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233346

0 1
O 5.149705 0.126770 0.088729
N -1.512853 0.249641 -0.222861
N 1.363712 -0.178604 -0.091938
C -0.943241 -1.137255 -0.165897
C 0.465266 -1.119251 -0.803562
C -0.613840 1.224097 0.449884
C 0.795649 1.187962 -0.164384
C -2.945058 0.369142 0.207023
C -0.909311 -1.782656 1.248570
C 2.770166 -0.257518 -0.538893
C -3.827810 -0.700902 -0.474901
C -3.503737 1.772181 -0.134874
C 3.753811 0.228092 0.546252
H -1.567587 -1.768026 -0.824817
H 0.900199 -2.134682 -0.749132
H 0.357117 -0.841998 -1.882820
H -0.537179 1.042992 1.550347
H -1.017372 2.240888 0.309453
H 0.731477 1.537742 -1.227592
H 1.446241 1.890290 0.388060
H -3.035398 0.231895 1.316664
H -0.649271 -2.854732 1.168989
H -0.148805 -1.298560 1.884315
H -1.891281 -1.712566 1.750764
H 2.944831 0.325679 -1.483891
H 3.013562 -1.311587 -0.766880
H -4.888730 -0.514713 -0.229680
H -3.711274 -0.649454 -1.573388
H -3.589372 -1.726606 -0.144165
H -3.028567 2.578778 0.449693
H -4.586322 1.806822 0.084092
H -3.354687 1.984344 -1.209338
H 3.693465 -0.427772 1.428107
H 3.519233 1.265582 0.864188
H 5.265860 0.698689 -0.712021


