%chk=000192778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192778

0 1
P -2.366310 -0.635941 -0.495352
O -2.259785 -0.701764 -1.972211
O -0.063980 0.550102 -0.576065
N -3.508129 -1.806158 0.188626
N -2.929196 0.880147 0.174655
N -0.948299 -1.229318 0.410967
N 1.444527 -0.924716 0.470626
C -4.600351 -2.314326 -0.697520
C -4.922040 -1.416176 0.477474
C -2.368132 2.189862 -0.274002
C -2.186931 1.723543 1.156737
C 0.180888 -0.479360 0.051463
C 2.680766 -0.249614 0.196386
C 3.847557 -0.796096 0.769568
C 2.746929 0.901760 -0.605042
C 5.074998 -0.175768 0.532107
C 3.986287 1.503695 -0.827156
C 5.150655 0.972506 -0.262608
H -4.777919 -3.393842 -0.633716
H -4.716800 -1.961248 -1.729478
H -5.284462 -0.393612 0.323833
H -5.330636 -1.841191 1.401284
H -3.116501 2.949945 -0.522031
H -1.503406 2.240142 -0.952520
H -1.192748 1.450940 1.522296
H -2.807525 2.138878 1.958563
H -0.942443 -2.115354 0.923287
H 1.513421 -1.802726 0.987367
H 3.804410 -1.687458 1.388921
H 1.840549 1.320872 -1.056316
H 5.980960 -0.593048 0.971529
H 4.042461 2.396884 -1.450424
H 6.111185 1.449340 -0.442649


%chk=000192778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192778

0 1
P -2.591144 -0.408141 -0.484662
O -2.755659 -0.539919 -2.068085
O 0.078978 1.060079 -0.720788
N -3.417489 -1.647150 0.520947
N -3.220659 1.101305 0.181345
N -0.983020 -0.805601 0.178146
N 1.361108 -0.731448 0.143693
C -4.108162 -2.776116 -0.238613
C -4.929898 -1.709539 0.454679
C -2.772218 2.450121 -0.327154
C -2.471758 2.029934 1.104253
C 0.167353 -0.082124 -0.172900
C 2.690019 -0.222665 0.045516
C 3.740096 -1.069863 0.492610
C 2.994564 1.064811 -0.470263
C 5.079511 -0.636358 0.428679
C 4.341548 1.484417 -0.522243
C 5.390121 0.647075 -0.077879
H -3.987304 -3.760213 0.223242
H -4.052365 -2.742015 -1.333662
H -5.446252 -0.973131 -0.171640
H -5.404923 -1.920700 1.417247
H -3.594219 3.140072 -0.539146
H -1.922214 2.470817 -1.017834
H -1.426492 1.796504 1.335969
H -3.072356 2.414654 1.934112
H -0.969838 -1.585664 0.842470
H 1.288778 -1.700010 0.461701
H 3.508196 -2.066731 0.890832
H 2.186587 1.705446 -0.827634
H 5.878439 -1.300948 0.775510
H 4.570312 2.478690 -0.922153
H 6.430360 0.985308 -0.127698


