%chk=000227726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227726

0 1
P 2.110846 -0.336933 0.335964
O 0.716610 -0.687741 -0.518602
O 1.815801 0.061275 1.745413
N 2.889212 0.833581 -0.716075
N 3.103845 -1.775109 0.196942
C -1.560684 0.025630 -0.286403
C -2.938467 -0.449342 0.217317
C -0.469304 -0.891849 0.295050
C -1.301432 1.510688 0.032860
C -4.088627 0.153800 -0.599431
C -5.453942 -0.324593 -0.085685
C -1.103000 1.823089 1.511685
C -6.602253 0.272727 -0.896012
C 4.316276 1.041303 -0.332960
C 2.130069 2.115524 -0.736168
C 3.113895 -2.348842 -1.177008
C 2.761870 -2.780331 1.240901
H -1.523125 -0.087388 -1.401413
H -2.997257 -1.553985 0.171075
H -3.055750 -0.183844 1.286434
H -0.714208 -1.961189 0.147747
H -0.293504 -0.692351 1.373262
H -0.399823 1.837099 -0.539120
H -2.142915 2.113600 -0.363688
H -3.974872 -0.112668 -1.667746
H -4.039357 1.260051 -0.558273
H -5.505315 -1.430232 -0.124378
H -5.570074 -0.053709 0.982087
H -0.195611 1.342569 1.916781
H -0.993071 2.899350 1.678751
H -1.948685 1.479804 2.117033
H -6.538538 -0.006963 -1.953715
H -6.604244 1.367592 -0.846649
H -7.572417 -0.073877 -0.522884
H 4.477947 1.503783 0.656116
H 4.790961 1.696721 -1.085178
H 4.866461 0.080940 -0.362133
H 2.182280 2.709093 0.193247
H 1.054139 1.926631 -0.966281
H 2.521658 2.741941 -1.557132
H 3.446348 -1.582367 -1.903874
H 2.144688 -2.748310 -1.523124
H 3.850804 -3.169634 -1.219793
H 1.828363 -3.339573 1.066062
H 2.700396 -2.296468 2.237154
H 3.583905 -3.516692 1.299846


%chk=000227726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227726

0 1
P 2.119539 -0.280482 0.378948
O 0.735973 -0.321018 -0.695496
O 1.709560 0.055169 1.894044
N 3.107643 0.778766 -0.580519
N 2.992598 -1.780813 0.317594
C -1.690224 0.180755 -0.478741
C -3.041565 -0.485261 -0.088065
C -0.554735 -0.801526 -0.131595
C -1.477505 1.587337 0.147405
C -4.294732 0.340714 -0.455228
C -5.612286 -0.419794 -0.178712
C -1.462236 1.634616 1.693169
C -6.869651 0.409512 -0.517888
C 4.516288 0.963727 -0.179573
C 2.526300 1.900272 -1.343100
C 3.403792 -2.369207 -0.966350
C 2.982781 -2.675898 1.486715
H -1.685830 0.305699 -1.583355
H -3.108878 -1.471850 -0.594368
H -3.053951 -0.697212 1.001192
H -0.752139 -1.789050 -0.591037
H -0.459764 -0.920606 0.965778
H -0.518000 1.990286 -0.230930
H -2.265720 2.264173 -0.237198
H -4.251850 0.621200 -1.528800
H -4.302171 1.290214 0.116279
H -5.619485 -1.362201 -0.763963
H -5.641650 -0.717965 0.889492
H -0.604583 1.072443 2.104271
H -1.364646 2.679802 2.040858
H -2.395127 1.228570 2.127319
H -6.878799 0.697099 -1.586361
H -6.902887 1.340351 0.079297
H -7.796817 -0.156700 -0.312399
H 4.652887 1.852980 0.471264
H 5.138137 1.095419 -1.085766
H 4.875606 0.072417 0.361497
H 2.518609 2.845061 -0.758668
H 1.499266 1.650413 -1.645616
H 3.132250 2.060404 -2.255658
H 3.414399 -1.591297 -1.747725
H 2.719110 -3.183116 -1.285455
H 4.424755 -2.789430 -0.876769
H 2.322389 -3.554570 1.328164
H 2.624958 -2.114005 2.365433
H 4.008291 -3.042598 1.688619


