%chk=000227787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227787

0 1
P 2.034973 0.223651 0.655369
O 2.086734 0.306702 -1.013709
O 2.957976 1.521766 1.086740
O 2.533091 -1.015717 1.280842
N 0.376344 0.675919 0.897976
C -1.263164 -1.194365 0.235583
C -2.105196 -0.236114 -0.632381
C -0.493677 -0.445648 1.351155
C -0.345914 -2.037976 -0.672830
C -3.207213 0.472728 0.164465
C -4.068957 1.365033 -0.740383
C 0.388999 -3.142801 0.078641
C -5.159820 2.083340 0.050594
C 3.278413 -0.245911 -1.609762
C 2.516847 2.813744 0.620891
H -1.962961 -1.897800 0.756751
H -1.449358 0.510428 -1.121230
H -2.563811 -0.808416 -1.463615
H -1.233235 0.004144 2.058488
H 0.087323 -1.183172 1.958346
H 0.379144 -1.390860 -1.206430
H -0.961006 -2.496127 -1.474476
H -3.847708 -0.274670 0.671358
H -2.760591 1.082561 0.974196
H -4.529795 0.755256 -1.542239
H -3.430551 2.108685 -1.255921
H -0.080122 1.203011 0.125559
H 0.949302 -3.782750 -0.611894
H -0.297148 -3.784418 0.640101
H 1.125746 -2.743840 0.796410
H -5.835170 1.374292 0.543085
H -5.770454 2.717161 -0.602245
H -4.737003 2.727051 0.830372
H 3.472420 -1.266823 -1.251184
H 4.136009 0.412534 -1.422122
H 3.038388 -0.261674 -2.681707
H 1.618568 3.130707 1.166760
H 2.366251 2.826405 -0.465310
H 3.362423 3.464867 0.890655


%chk=000227787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227787

0 1
P 2.178683 0.112107 0.336916
O 2.438955 0.517038 -1.338069
O 2.975133 1.422448 1.173271
O 2.727337 -1.265844 0.900800
N 0.483098 0.338814 0.353030
C -1.413528 -1.346304 0.332893
C -2.340125 -0.488285 -0.574015
C -0.433616 -0.482840 1.174924
C -0.682655 -2.432057 -0.502158
C -3.187336 0.577280 0.159013
C -4.202364 1.281849 -0.771369
C 0.073934 -3.487035 0.336265
C -5.038969 2.358423 -0.047187
C 3.825522 0.485043 -1.851170
C 2.453026 2.793501 1.016320
H -2.062083 -1.863229 1.075388
H -1.738462 -0.002148 -1.372737
H -3.026025 -1.178394 -1.106845
H -1.002561 0.178304 1.856171
H 0.187018 -1.142210 1.807350
H 0.024585 -1.936092 -1.197680
H -1.437234 -2.941009 -1.136338
H -3.734401 0.097719 0.997779
H -2.532405 1.346470 0.617808
H -4.878270 0.521404 -1.212991
H -3.659052 1.742852 -1.621852
H 0.079790 0.896081 -0.402718
H 0.459453 -4.294677 -0.313086
H -0.594188 -3.951069 1.087708
H 0.943580 -3.048158 0.856925
H -5.610751 1.917598 0.791196
H -5.760930 2.839411 -0.732366
H -4.390423 3.151566 0.371028
H 4.251814 -0.529320 -1.754634
H 4.465250 1.210813 -1.315957
H 3.742835 0.761129 -2.913059
H 1.386321 2.847599 1.305361
H 2.577478 3.156475 -0.021771
H 3.057661 3.405648 1.702755


