%chk=000246336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246336

0 1
P 0.740090 0.095785 -0.965526
O 1.406770 0.225385 -2.297341
N 0.289947 -1.555033 -0.547953
N 1.740422 0.613148 0.395899
N -0.718670 1.052642 -0.854056
C 1.114289 -2.694560 -1.076006
C 2.916718 1.505187 0.112197
C 1.091604 -2.375974 0.410781
C 1.707164 2.031602 0.868169
C -1.655418 0.765792 0.264251
C -2.550635 2.009353 0.513333
C -2.629097 -0.408668 -0.006476
C 0.339988 -3.861691 -1.629098
C 4.191121 1.162505 0.837069
C -3.962517 1.491352 0.835517
C -3.930926 -0.045485 0.720005
H 2.033564 -2.484755 -1.653525
H 3.096070 1.860359 -0.921071
H 0.491487 -2.981527 1.098103
H 1.976632 -1.977958 0.917081
H 1.741984 2.147231 1.956626
H 1.044111 2.777328 0.418470
H -1.217883 1.197410 -1.753355
H -1.065956 0.553217 1.193602
H -2.568206 2.672383 -0.369707
H -2.142710 2.618977 1.334791
H -2.207378 -1.367473 0.341743
H -2.807401 -0.539866 -1.087679
H 0.900187 -4.796832 -1.509596
H -0.633355 -3.986216 -1.133694
H 0.134158 -3.720205 -2.699428
H 4.000824 0.682278 1.807406
H 4.800813 0.463400 0.248714
H 4.790069 2.063028 1.021607
H -4.700487 1.918868 0.135384
H -4.279442 1.802563 1.844650
H -3.957842 -0.508807 1.721876
H -4.812387 -0.426444 0.179438


%chk=000246336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246336

0 1
P 0.843351 0.255162 -1.017460
O 1.603453 0.527428 -2.412127
N 0.830136 -1.435724 -0.420599
N 1.489552 1.075211 0.437269
N -0.809393 0.708727 -1.054836
C 0.854919 -2.537820 -1.469400
C 2.997505 1.237503 0.565840
C 2.084639 -2.270115 -0.620278
C 2.130815 2.435286 0.222240
C -1.759055 0.562336 0.058101
C -2.559039 1.865056 0.360950
C -2.870028 -0.502459 -0.153111
C -0.066126 -3.714844 -1.218573
C 3.575215 1.016041 1.949037
C -3.877691 1.399111 1.057189
C -3.885226 -0.165946 0.963962
H 0.934145 -2.195057 -2.511979
H 3.592702 0.851797 -0.275479
H 2.318743 -2.930260 0.221657
H 2.944996 -1.804665 -1.118999
H 1.885583 3.169367 0.996868
H 2.185999 2.819051 -0.805000
H -1.157372 1.071490 -1.944237
H -1.167675 0.280697 0.948762
H -2.781332 2.378504 -0.595099
H -1.966884 2.565952 0.974190
H -2.472581 -1.530853 -0.098599
H -3.326614 -0.362056 -1.154173
H 0.280545 -4.605554 -1.775069
H -0.096060 -3.960250 -0.142892
H -1.095782 -3.482333 -1.546159
H 2.897921 1.422966 2.719355
H 3.709977 -0.062329 2.150089
H 4.558848 1.512793 2.044382
H -4.758716 1.825238 0.544022
H -3.926641 1.734040 2.108558
H -3.541889 -0.604989 1.920179
H -4.893237 -0.570202 0.763622


