%chk=000231349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231349

0 1
P 2.982185 0.577938 0.155290
O 2.746416 -1.037889 0.413298
O 4.526826 0.635930 -0.470620
O 2.764217 1.360635 1.386708
O -4.791913 -1.905562 1.621272
O -4.352414 3.059633 -0.652031
N -3.528625 0.131643 -0.444944
C 2.060297 1.049437 -1.398710
C -2.121894 0.315773 -0.602831
C 0.619568 0.793372 -1.122484
C -4.059678 -1.253735 -0.523165
C -4.222531 0.954175 0.592342
C -1.311206 -0.689025 -1.174861
C -1.534882 1.567165 -0.299379
C 0.037014 -0.444510 -1.431143
C -0.187606 1.795457 -0.552793
C -3.717528 -2.140946 0.685074
C -5.125865 1.984148 -0.105447
C 3.106681 -1.941400 -0.667343
C 5.599341 0.786830 0.494604
C 3.341882 -3.270050 0.029528
C 5.961744 -0.552598 1.112490
H 2.438866 0.495172 -2.278077
H 2.256252 2.117407 -1.635730
H -5.172544 -1.187030 -0.613254
H -3.698722 -1.726917 -1.463721
H -4.833143 0.306495 1.268916
H -3.500732 1.482177 1.255989
H -1.726375 -1.659948 -1.430847
H -2.138076 2.368015 0.137570
H 0.647679 -1.239175 -1.865612
H 0.246557 2.763537 -0.295443
H -2.755074 -1.870299 1.154321
H -3.717114 -3.212702 0.419909
H -5.784936 2.497388 0.620104
H -5.732318 1.528937 -0.908332
H 4.012253 -1.589603 -1.199467
H 2.237915 -1.985534 -1.358754
H 5.330530 1.545052 1.257854
H 6.413052 1.181269 -0.147386
H 4.236387 -3.235456 0.664923
H 2.500483 -3.508844 0.697563
H 3.456671 -4.090416 -0.685668
H 5.194464 -0.913182 1.813295
H 6.084989 -1.326332 0.344378
H 6.901420 -0.485560 1.673691
H -4.596696 -2.337282 2.474888
H -3.760918 2.717211 -1.359768


%chk=000231349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231349

0 1
P 3.215662 0.640800 0.022954
O 2.997631 -0.936548 0.737691
O 4.748955 0.552958 -0.819820
O 3.130204 1.773837 1.137287
O -5.043937 -2.200532 1.104914
O -4.219976 3.099712 -0.273493
N -3.576475 0.126899 -0.223576
C 2.062469 0.781795 -1.467124
C -2.203488 0.274125 -0.510176
C 0.601249 0.598500 -1.125847
C -4.362840 -0.949389 -0.845470
C -4.242393 0.869616 0.875440
C -1.511019 -0.653883 -1.351709
C -1.444237 1.371947 0.012421
C -0.144683 -0.483307 -1.649972
C -0.079387 1.518162 -0.284865
C -4.264043 -2.315664 -0.141197
C -5.055281 2.079228 0.371825
C 3.154625 -2.152986 -0.102948
C 5.964231 1.028863 -0.096727
C 3.153266 -3.339923 0.857692
C 6.496091 -0.019114 0.886992
H 2.415771 0.048440 -2.211138
H 2.279529 1.791154 -1.861311
H -5.429130 -0.655731 -0.840257
H -4.072424 -1.063907 -1.906124
H -4.912432 0.167108 1.403888
H -3.484833 1.206600 1.603028
H -2.029737 -1.516645 -1.778987
H -1.926458 2.130744 0.634102
H 0.345155 -1.211531 -2.310052
H 0.469615 2.364399 0.145074
H -3.205061 -2.563891 0.072076
H -4.697494 -3.100172 -0.799170
H -5.528911 2.594636 1.225077
H -5.856730 1.735272 -0.318436
H 4.101561 -2.090025 -0.674194
H 2.304766 -2.215952 -0.812619
H 5.720655 1.975378 0.422309
H 6.682285 1.229596 -0.909368
H 3.999111 -3.268444 1.562304
H 2.217429 -3.360143 1.441350
H 3.240282 -4.288097 0.294460
H 5.775188 -0.196683 1.704045
H 6.693544 -0.976312 0.372815
H 7.443379 0.335917 1.335155
H -4.883314 -2.989884 1.678802
H -3.705470 2.663882 -1.000923


