%chk=000230687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230687

0 1
O 3.376302 -0.533496 0.326976
O 1.132426 1.991099 -1.636572
O 2.066605 0.611802 1.774932
O -1.916055 -2.251466 -2.245543
O 0.128505 -1.575336 -2.376423
O -4.585898 1.436281 1.877313
O -5.182055 0.031492 0.339944
N -0.990565 -1.551712 -1.880846
N -4.350339 0.659350 0.969592
C 1.225601 -0.094225 -0.437905
C -0.221264 0.084730 -0.078724
C -1.246451 -0.611581 -0.767784
C -0.595366 0.978851 0.940291
C 1.617238 0.892978 -1.587383
C 2.205597 0.074605 0.704328
C -2.597628 -0.427756 -0.421688
C -2.928229 0.460264 0.601993
C -1.927237 1.175400 1.285786
C 2.599055 0.333015 -2.551668
C 4.516849 -0.469046 1.251580
C 5.156003 0.898966 1.181057
H 1.389529 -1.147453 -0.840118
H 0.184988 1.541704 1.479393
H -3.390840 -0.981613 -0.956638
H -2.207694 1.880092 2.081186
H 3.470919 -0.118342 -2.047554
H 2.138844 -0.468649 -3.161306
H 2.968801 1.098025 -3.251458
H 4.158561 -0.725285 2.264603
H 5.151741 -1.275827 0.839955
H 6.096788 0.930014 1.746423
H 5.382714 1.193693 0.148288
H 4.498955 1.674325 1.604473


%chk=000230687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230687

0 1
O 3.434853 -0.554166 0.260545
O 1.508086 2.283909 -1.226682
O 1.945710 0.318431 1.831657
O -1.775948 -2.854879 -1.636935
O -0.028276 -1.685476 -2.510752
O -4.605831 1.628018 1.776598
O -5.214000 -0.148638 0.478636
N -0.996838 -1.831204 -1.661940
N -4.337320 0.661593 0.966151
C 1.254874 -0.072140 -0.546447
C -0.206601 0.099352 -0.187275
C -1.249597 -0.738899 -0.684121
C -0.592526 1.149998 0.689352
C 1.736486 1.088224 -1.516297
C 2.199179 -0.063004 0.670391
C -2.597046 -0.583573 -0.301471
C -2.917414 0.470132 0.568081
C -1.932647 1.351336 1.062174
C 2.470206 0.632429 -2.754258
C 4.529108 -0.573858 1.291418
C 5.226225 0.785931 1.363883
H 1.433809 -1.014150 -1.082223
H 0.180730 1.811378 1.080095
H -3.371008 -1.256876 -0.677627
H -2.224424 2.167836 1.727330
H 3.330823 0.002155 -2.463007
H 1.799710 -0.004340 -3.361674
H 2.812013 1.496105 -3.344182
H 4.083569 -0.856212 2.260869
H 5.198610 -1.370823 0.932285
H 6.073273 0.726878 2.071904
H 5.623313 1.082313 0.377865
H 4.535299 1.567119 1.722161


