%chk=000230728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230728

0 1
O 0.267189 -2.447508 1.184629
O -0.665675 1.182359 -0.646930
N 3.834321 0.383031 0.186564
N -1.275677 -1.379107 -0.113520
N 1.125799 2.077510 0.435168
C 0.985691 -0.368321 0.241189
C 1.901499 -0.801421 -0.918100
C 3.131966 0.100498 -1.110931
C -0.035882 -1.488330 0.484775
C 0.384951 1.005435 -0.033331
C -2.272992 -2.467125 0.013268
C 0.618384 3.464449 0.316556
C 4.428125 -0.855940 0.771569
C 4.901997 1.407775 -0.030420
C -2.128034 -3.462111 -1.115892
C -0.042868 3.901430 1.603415
C -3.044018 -3.479313 -2.175226
C -1.298325 3.376741 1.946206
C -1.063028 -4.375893 -1.095556
C 0.585221 4.823174 2.450641
C -2.898612 -4.413181 -3.206517
C -1.920711 3.776290 3.130542
C -0.922044 -5.304962 -2.127914
C -0.044098 5.221904 3.634488
C -1.840327 -5.326109 -3.184196
C -1.295260 4.700119 3.975715
H 1.609078 -0.326575 1.183052
H 2.227167 -1.848861 -0.735649
H 1.321904 -0.824338 -1.864573
H 3.798231 -0.364075 -1.870970
H 2.806636 1.078015 -1.534857
H -1.511279 -0.587424 -0.729382
H 1.999977 1.938005 0.946420
H -3.289627 -2.015376 0.034650
H -2.131672 -2.986989 0.995773
H -0.119670 3.517035 -0.526042
H 1.463329 4.133402 0.041018
H 3.622518 -1.576327 0.996424
H 4.909765 -0.607618 1.730799
H 5.168776 -1.359523 0.133951
H 4.447724 2.333775 -0.415643
H 5.702071 1.103428 -0.721436
H 5.365185 1.650702 0.939771
H -3.867990 -2.769394 -2.201162
H -1.780703 2.654312 1.283615
H -0.347177 -4.348733 -0.268489
H 1.559835 5.231794 2.193634
H -3.612186 -4.427153 -4.028217
H -2.894464 3.367714 3.396429
H -0.097340 -6.015193 -2.109726
H 0.443572 5.939706 4.291658
H -1.730213 -6.052518 -3.986446
H -1.782637 5.010914 4.897710


%chk=000230728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230728

0 1
O 0.434449 -3.076393 0.944261
O -1.072737 0.622340 -0.670557
N 3.337281 0.762547 0.787489
N -1.302978 -2.018151 -0.207563
N 0.644313 1.692426 0.487841
C 0.752562 -0.732851 0.376636
C 2.016663 -0.993401 -0.512599
C 3.057925 0.149332 -0.547692
C -0.074562 -2.040933 0.396336
C 0.017404 0.572287 0.006368
C -2.170964 -3.208307 -0.256346
C 0.128143 3.050312 0.254201
C 3.901678 -0.207452 1.761943
C 4.218274 1.952053 0.651641
C -2.157202 -3.914092 -1.610869
C 0.171556 3.917341 1.507703
C -3.332528 -4.012838 -2.394175
C -0.293410 3.419913 2.752148
C -0.955628 -4.493306 -2.096981
C 0.648966 5.249369 1.439794
C -3.312836 -4.675803 -3.644017
C -0.284160 4.239486 3.901827
C -0.933252 -5.154607 -3.343714
C 0.656422 6.073866 2.588583
C -2.112506 -5.247843 -4.122309
C 0.189993 5.570751 3.824283
H 1.113924 -0.613949 1.415182
H 2.470357 -1.926977 -0.134032
H 1.698586 -1.191911 -1.554326
H 3.996156 -0.244854 -1.008592
H 2.695282 0.964570 -1.202033
H -1.586579 -1.114736 -0.635112
H 1.597640 1.537804 0.903963
H -3.202210 -2.902234 -0.000336
H -1.805242 -3.893705 0.530496
H -0.909084 2.928203 -0.112996
H 0.697432 3.546747 -0.558255
H 3.221441 -1.064334 1.894627
H 4.026268 0.287829 2.740567
H 4.894200 -0.600413 1.437821
H 3.745187 2.693574 -0.017375
H 5.220841 1.697527 0.234260
H 4.362762 2.420629 1.640570
H -4.266558 -3.568363 -2.027310
H -0.659831 2.388536 2.813633
H -0.048104 -4.428535 -1.484927
H 1.014245 5.645303 0.483446
H -4.229431 -4.744376 -4.241091
H -0.648583 3.843544 4.856608
H -0.001370 -5.602981 -3.707187
H 1.027220 7.102863 2.519954
H -2.095189 -5.762532 -5.089781
H 0.196177 6.206826 4.716499


