%chk=000196546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196546

0 1
P 3.621136 1.358792 0.009318
O 1.036509 -1.373367 1.051872
O -0.701237 -4.110310 -0.003919
O 3.697838 -0.251382 -0.212981
O -2.673611 -2.036962 -0.582397
O 2.350957 1.581576 1.052892
O 2.823839 1.847199 -1.347426
O 4.872533 2.015703 0.374604
N -1.001084 -0.621933 0.102848
N -3.059791 0.221182 -1.007378
N -1.067672 3.091158 -0.288872
N -3.017666 2.728077 -1.248853
N -2.154368 3.619992 -0.902165
C -0.057686 -2.924229 -0.447588
C -0.257792 -1.814446 0.638418
C 1.454234 -3.192433 -0.439096
C 2.081894 -1.956351 0.211190
C 2.552430 -0.913783 -0.814531
C -0.478065 0.631800 0.267373
C -2.352075 -0.870114 -0.536947
C -1.226006 1.684369 -0.226279
C -2.526801 1.435236 -0.863819
H -0.449073 -2.634734 -1.445723
H -0.772087 -2.185178 1.559233
H 1.656607 -4.111040 0.157756
H 1.843232 -3.412589 -1.446920
H 2.890145 -2.180737 0.945226
H 1.746776 -0.219230 -1.116265
H 2.982557 -1.388334 -1.722316
H -1.683025 -4.034062 -0.173941
H 0.499545 0.767127 0.775987
H -0.281104 3.626991 0.045297
H 2.559496 1.615074 2.021848
H 3.129215 2.683940 -1.785448


%chk=000196546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196546

0 1
P 3.546395 1.472932 0.059131
O 1.114116 -1.317394 1.020370
O -0.864972 -3.955251 -0.436449
O 3.807501 -0.212485 -0.147230
O -2.745978 -2.058874 -0.334180
O 2.322150 1.608444 1.263743
O 2.501571 1.942112 -1.231000
O 4.886026 2.283505 0.249260
N -0.992176 -0.550555 0.106304
N -3.175866 0.223802 -0.717502
N -1.154592 3.113468 -0.401794
N -3.252502 2.674510 -1.055214
N -2.366043 3.664635 -0.883448
C 0.006704 -2.816764 -0.570181
C -0.203802 -1.750012 0.564532
C 1.463259 -3.272609 -0.349569
C 2.180422 -2.047971 0.251819
C 2.834212 -1.138363 -0.796173
C -0.454977 0.706137 0.155323
C -2.384172 -0.839609 -0.337190
C -1.275535 1.743400 -0.273629
C -2.624636 1.449570 -0.691181
H -0.119212 -2.313555 -1.554141
H -0.760568 -2.207127 1.403909
H 1.442216 -4.101697 0.377432
H 1.926339 -3.639257 -1.279807
H 2.944032 -2.324132 0.998224
H 2.092340 -0.569346 -1.386215
H 3.462585 -1.741798 -1.473794
H -1.796534 -3.574752 -0.446774
H 0.559687 0.829632 0.543698
H -0.360354 3.727105 -0.226650
H 2.538030 1.189610 2.135504
H 2.944133 2.479693 -1.936130


