%chk=000257616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257616

0 1
O 0.114889 3.090227 0.002665
O -2.127832 2.863473 0.002622
O -7.611096 -0.674283 -1.082978
O -7.611009 -0.677266 1.081879
O 7.772424 -0.496898 1.081822
O 7.772470 -0.494699 -1.082516
N -1.092231 2.270237 0.002081
N -0.583672 -1.416479 -0.001302
N 0.761704 -1.399995 -0.001273
N 1.214816 2.279184 0.002058
N -7.051680 -0.646674 -0.000532
N 7.211139 -0.479884 -0.000342
C -0.668923 0.979610 0.000877
C 0.801326 1.011443 0.000907
C -1.322954 -0.311361 -0.000311
C 1.477301 -0.286522 -0.000264
C -2.802101 -0.408708 -0.000379
C 2.958079 -0.348248 -0.000296
C -3.490870 -0.451738 -1.221702
C -3.490790 -0.454726 1.220879
C 3.647915 -0.374852 1.221149
C 3.647975 -0.372059 -1.221766
C -4.884257 -0.530899 -1.224295
C -4.884177 -0.533893 1.223371
C -5.568343 -0.567119 -0.000482
C 5.042540 -0.418824 1.223561
C 5.042600 -0.416029 -1.224210
C 5.727883 -0.436399 -0.000329
H -2.943499 -0.434762 -2.166094
H -2.943353 -0.440063 2.165273
H 3.100145 -0.367804 2.165059
H 3.100254 -0.362845 -2.165685
H -5.445367 -0.566601 -2.166233
H -5.445225 -0.571908 2.165255
H 5.604305 -0.440638 2.165236
H 5.604410 -0.435698 -2.165904


%chk=000257616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257616

0 1
O 0.285167 2.570090 -2.238954
O -2.220211 2.451916 -1.945030
O -7.786926 -0.650712 -0.542233
O -7.505045 -1.234258 1.646172
O 7.659697 -1.544876 1.252224
O 7.970095 0.037824 -0.362454
N -1.126996 1.934475 -1.610102
N -0.619149 -0.805113 0.857601
N 0.763435 -0.796985 0.864867
N 1.314888 1.855023 -1.681247
N -7.053468 -0.849519 0.500507
N 7.218086 -0.680428 0.401866
C -0.660621 0.930158 -0.817450
C 0.790512 0.909143 -0.850552
C -1.359508 0.000545 0.046157
C 1.493037 -0.013400 0.020276
C -2.828109 -0.175935 0.132786
C 2.963956 -0.159022 0.094276
C -3.685735 0.018007 -0.986277
C -3.382127 -0.612808 1.370720
C 3.512089 -1.100486 1.016230
C 3.843935 0.606124 -0.725359
C -5.069361 -0.207073 -0.870876
C -4.763107 -0.831983 1.499679
C -5.588959 -0.620998 0.373355
C 4.899847 -1.274949 1.122781
C 5.236719 0.437452 -0.626038
C 5.745597 -0.500277 0.296572
H -3.284411 0.317538 -1.957194
H -2.709858 -0.779320 2.216143
H 2.823692 -1.681127 1.634988
H 3.444424 1.332679 -1.436705
H -5.744864 -0.070178 -1.718775
H -5.209311 -1.158958 2.442108
H 5.338691 -1.990395 1.822591
H 5.928694 1.014127 -1.244851


