%chk=000191977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191977

0 1
P 0.995871 -2.093891 -0.610097
P 2.445746 0.460129 -1.285655
P 0.939262 1.862630 0.989206
O 1.649901 -0.962085 -1.618750
O 1.669439 -3.472421 -1.185645
O 1.342980 -1.716902 0.789077
O 1.238755 1.287459 -0.530575
O -2.677391 1.403305 1.459129
O 3.383098 0.054036 -0.018018
O -2.383755 -2.249170 1.548507
O 3.054375 1.057678 -2.449876
O -0.870096 -0.883425 2.459429
O 1.482013 0.592055 1.842958
O 2.167869 2.888716 1.280638
O -0.406075 2.421006 1.108794
N -1.955265 1.133792 -2.127288
C -0.767225 -2.307225 -1.089777
C -1.353121 -0.942808 -1.005231
C -1.746235 -0.390201 0.243207
C -1.483536 -0.151758 -2.150033
C -2.238352 0.917910 0.268248
C -2.313294 1.679735 -0.959055
C -1.594533 -1.126540 1.516083
C -2.756772 3.100438 -0.921913
H -1.292043 -3.033238 -0.419947
H -0.860151 -2.756309 -2.106088
H -1.192150 -0.518872 -3.141931
H 2.653433 -3.587103 -1.071772
H -3.751323 3.210578 -0.469021
H -2.036079 3.708979 -0.344491
H -2.804646 3.540771 -1.932597
H -2.394290 2.369145 1.580657
H 2.923623 -0.381395 0.806974
H -2.318128 -2.731359 2.422007
H 0.848227 -0.200942 2.078306
H 3.046471 2.488183 1.549638


%chk=000191977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191977

0 1
P 0.954677 -2.330765 -0.899487
P 2.472796 0.404191 -0.848592
P 1.004315 2.346864 1.213415
O 1.536820 -0.867894 -1.647535
O 1.535943 -3.593984 -1.894180
O 1.442824 -2.345661 0.638551
O 1.146014 1.301651 -0.182815
O -2.191339 1.618729 1.399446
O 3.179200 -0.358495 0.494769
O -1.758020 -2.398793 1.554500
O 3.436988 1.157962 -1.827988
O -0.737123 -0.576270 2.476519
O 0.958329 1.317097 2.527171
O 2.514017 3.088515 1.408768
O -0.200267 3.354157 0.971952
N -2.335028 0.929238 -2.226065
C -0.888249 -2.431724 -1.241431
C -1.535713 -1.078312 -1.067455
C -1.677264 -0.419464 0.195787
C -1.881874 -0.356862 -2.228436
C -2.087073 0.942182 0.196061
C -2.418492 1.590939 -1.042519
C -1.338369 -1.080487 1.486971
C -2.849779 3.034586 -1.054583
H -1.271434 -3.200317 -0.551654
H -0.973511 -2.785640 -2.281151
H -1.781866 -0.822766 -3.215323
H 2.510464 -3.775599 -1.869599
H -3.688929 3.210423 -0.355898
H -2.016678 3.694399 -0.743564
H -3.156356 3.310946 -2.073877
H -1.761351 2.534447 1.322756
H 2.627800 -1.162177 0.838434
H -1.443538 -2.800529 2.410942
H 0.203245 0.595846 2.571983
H 3.115425 2.624470 2.049227


