%chk=000104763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104763

0 1
O -0.241715 -1.772446 0.063154
C -1.500535 0.769946 -0.043412
C 0.032884 0.719680 -0.395697
C -1.905362 -0.285188 1.040601
C -1.653524 -1.582320 0.231518
C -2.330034 0.230792 -1.265222
C 0.455973 -0.753802 -0.715365
C -2.358781 -1.304358 -1.116208
C 0.916486 1.285395 0.739874
C -1.954545 2.175589 0.344711
C 0.300679 1.557524 -1.667297
C -1.225282 -0.274080 2.395983
C 2.416198 1.180642 0.430690
C 1.897294 -1.085836 -0.451621
C 2.792395 -0.226176 0.051951
C 4.226212 -0.596667 0.266649
H -3.004156 -0.178765 1.223118
H -1.953989 -2.518959 0.731296
H -1.889657 0.540312 -2.227822
H -3.349585 0.646417 -1.251175
H 0.212085 -0.982210 -1.781820
H -3.388488 -1.692266 -1.112422
H -1.838889 -1.812759 -1.943909
H 0.720954 0.713207 1.674030
H 0.647478 2.335107 0.949021
H -3.027120 2.205213 0.566731
H -1.433022 2.531106 1.240831
H -1.766706 2.897608 -0.457155
H -0.379109 1.287806 -2.486523
H 0.170738 2.626468 -1.472974
H 1.323890 1.411085 -2.030769
H -1.355351 0.685418 2.906127
H -1.631126 -1.057976 3.045440
H -0.141900 -0.472639 2.298231
H 2.997198 1.516467 1.312100
H 2.696431 1.870915 -0.391046
H 2.152091 -2.118814 -0.684524
H 4.907067 0.153227 -0.155815
H 4.484320 -1.562041 -0.188423
H 4.450703 -0.679522 1.339640


%chk=000104763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104763

0 1
O -0.194988 -1.768957 0.211910
C -1.507563 0.767211 -0.067292
C 0.063053 0.716107 -0.354424
C -1.967063 -0.266627 1.039629
C -1.665036 -1.595250 0.308187
C -2.308254 0.159408 -1.288192
C 0.460509 -0.765072 -0.678736
C -2.342378 -1.391026 -1.069572
C 0.929302 1.211689 0.844626
C -1.992710 2.196398 0.255073
C 0.429249 1.589758 -1.591794
C -1.459132 -0.204981 2.492987
C 2.445750 1.133215 0.551743
C 1.942060 -1.050196 -0.582561
C 2.860030 -0.207154 -0.035978
C 4.338033 -0.539762 0.006118
H -3.074292 -0.157072 1.075933
H -2.000755 -2.498635 0.845157
H -1.879213 0.430292 -2.266505
H -3.334889 0.571947 -1.269241
H 0.130177 -0.981468 -1.720679
H -3.380509 -1.768266 -1.030146
H -1.820454 -1.957249 -1.861152
H 0.729399 0.587536 1.727837
H 0.660657 2.253117 1.105319
H -3.081760 2.190124 0.452964
H -1.497511 2.612067 1.151270
H -1.811958 2.893401 -0.583228
H -0.224619 1.393641 -2.458208
H 0.358063 2.666288 -1.352719
H 1.463539 1.385555 -1.919256
H -1.369954 0.833028 2.862803
H -2.171892 -0.729422 3.157525
H -0.481836 -0.704876 2.599964
H 3.008196 1.307865 1.492093
H 2.762496 1.947543 -0.134044
H 2.261084 -2.023798 -0.977967
H 4.938738 0.247542 -0.492237
H 4.558300 -1.502664 -0.486576
H 4.700332 -0.598157 1.051864


