%chk=000242553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242553

0 1
P 1.116949 1.499874 0.557441
O 2.530949 2.256020 0.150841
O -0.020513 2.529619 -0.067786
O 1.025734 1.220466 2.000452
O -3.939588 1.131076 -0.744069
N -3.946422 -1.062319 -0.022611
C 0.966269 0.094650 -0.678650
C -0.247615 -0.723735 -0.329387
C 2.115497 -0.849595 -0.445628
C 0.156049 -2.032273 0.085650
C 1.618143 -2.112349 0.012184
C -1.584102 -0.366049 -0.383234
C 3.475939 -0.647660 -0.615766
C -0.794851 -2.971193 0.461121
C 2.489986 -3.154283 0.293825
C -2.539642 -1.332942 -0.001399
C -2.150291 -2.621585 0.417560
C 4.351673 -1.711022 -0.329273
C 3.868283 -2.941166 0.116671
C 2.562889 3.010524 -1.093220
C -0.767491 3.325667 0.905136
C 3.633403 4.060434 -0.853958
C -2.091747 3.597643 0.222332
C -4.566166 0.152076 -0.391028
C -6.067365 0.113466 -0.304766
H 0.923406 0.488073 -1.718824
H -1.893532 0.635750 -0.706636
H 3.871758 0.313038 -0.942213
H -0.496941 -3.966487 0.786647
H 2.120951 -4.113235 0.647315
H -2.893503 -3.356690 0.714598
H 5.423229 -1.563190 -0.454111
H 4.564548 -3.748896 0.336207
H 2.848240 2.301749 -1.894055
H 1.578261 3.468833 -1.316044
H -0.891315 2.773821 1.859069
H -0.179936 4.248478 1.071823
H -4.543648 -1.838647 0.272107
H 3.884352 4.601535 -1.771632
H 3.314649 4.789797 -0.097478
H 4.551414 3.596644 -0.463203
H -2.744776 4.222671 0.839054
H -1.950747 4.093868 -0.746188
H -2.633720 2.659213 0.003345
H -6.510034 -0.645944 -0.962737
H -6.482812 1.086640 -0.619042
H -6.426516 -0.068363 0.716964


%chk=000242553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242553

0 1
P 1.095333 1.570979 0.711649
O 2.543024 2.424506 0.215677
O -0.212057 2.519544 0.050248
O 1.071641 1.335637 2.279888
O -4.042757 1.164293 -0.397244
N -3.966797 -1.164065 -0.099979
C 0.996230 0.081659 -0.464411
C -0.236342 -0.788737 -0.251175
C 2.155974 -0.893401 -0.294155
C 0.172974 -2.131342 0.003821
C 1.642842 -2.198447 -0.021550
C -1.587659 -0.415421 -0.297565
C 3.540740 -0.665117 -0.370021
C -0.804245 -3.128131 0.212288
C 2.522850 -3.287341 0.158237
C -2.564745 -1.426006 -0.078817
C -2.165619 -2.770551 0.171364
C 4.421209 -1.760941 -0.188927
C 3.915641 -3.059134 0.070370
C 2.580303 3.130106 -1.095942
C -0.919887 3.491224 0.942875
C 3.820013 4.021349 -1.070131
C -2.133837 3.988887 0.163535
C -4.632328 0.052860 -0.247898
C -6.156443 -0.046697 -0.220139
H 0.990187 0.559491 -1.463672
H -1.893059 0.614899 -0.482301
H 3.933351 0.342812 -0.537172
H -0.518672 -4.167301 0.406313
H 2.139516 -4.292669 0.365563
H -2.932104 -3.538576 0.339066
H 5.503776 -1.600979 -0.239887
H 4.613209 -3.892447 0.210796
H 2.641811 2.381568 -1.913553
H 1.650875 3.715567 -1.223945
H -1.207300 2.971132 1.875128
H -0.221874 4.312587 1.196563
H -4.561377 -1.985802 0.027640
H 3.911740 4.573142 -2.024366
H 3.752912 4.749935 -0.244725
H 4.732340 3.418174 -0.923875
H -2.688435 4.725279 0.775762
H -1.821645 4.483481 -0.773008
H -2.812502 3.155458 -0.081678
H -6.539052 -1.070421 -0.063717
H -6.557839 0.339570 -1.173095
H -6.542615 0.603389 0.583570


