%chk=000229450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229450

0 1
O -1.782431 -1.108558 1.681677
O -1.817270 -1.710226 -0.516532
O -0.777774 0.631267 -2.389725
O -0.117098 3.609275 1.079904
N -0.498384 1.285864 1.106849
N -0.454770 2.373051 -0.899863
C -0.555028 0.200958 0.078988
C 0.653251 -0.741876 0.096766
C -1.878271 -0.583137 0.349158
C 1.993778 -0.046712 -0.149608
C -0.626515 1.002491 -1.259914
C 3.152641 -1.050116 -0.068979
C -0.305607 2.559336 0.517241
C 4.504068 -0.364991 -0.315885
C 5.661114 -1.357900 -0.234822
C -2.844154 -0.720263 2.575683
C -2.980672 -2.564448 -0.484796
H 0.480133 -1.535077 -0.669913
H 0.662755 -1.288650 1.065187
H -2.792740 0.015916 0.192470
H 1.994679 0.440276 -1.145714
H 2.152702 0.765014 0.586138
H -0.134396 1.062199 2.029191
H 3.158784 -1.545842 0.920905
H 3.003194 -1.860543 -0.809221
H -0.452015 3.145841 -1.559779
H 4.656656 0.447324 0.421592
H 4.502129 0.125227 -1.309517
H 5.717168 -1.834972 0.750205
H 6.621625 -0.861255 -0.413385
H 5.562039 -2.155710 -0.979942
H -3.809488 -1.078864 2.209248
H -2.844544 0.365334 2.717356
H -2.569037 -1.232711 3.507073
H -3.112804 -2.977025 0.520286
H -2.707205 -3.352376 -1.198887
H -3.864213 -2.019023 -0.825535


%chk=000229450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229450

0 1
O -1.785942 -1.032156 1.786810
O -1.843144 -1.753695 -0.503974
O -0.680764 0.544621 -2.403603
O -0.382428 3.630761 1.149982
N -0.394942 1.246522 1.089905
N -0.579300 2.332949 -0.853714
C -0.496503 0.165492 0.090752
C 0.730949 -0.784365 0.068736
C -1.816907 -0.623224 0.370187
C 2.080887 -0.070154 -0.152273
C -0.604863 0.984541 -1.234859
C 3.269624 -1.056674 -0.101805
C -0.440832 2.525608 0.560022
C 4.635408 -0.371706 -0.334978
C 5.819766 -1.360879 -0.285855
C -2.987074 -0.665588 2.553981
C -3.090205 -2.527051 -0.446159
H 0.551142 -1.520636 -0.734130
H 0.742688 -1.343930 1.024419
H -2.708672 0.030976 0.209263
H 2.078747 0.438095 -1.138208
H 2.226235 0.718128 0.613797
H -0.309314 1.061760 2.087284
H 3.281337 -1.570881 0.882272
H 3.122399 -1.849042 -0.864715
H -0.619438 3.117476 -1.504701
H 4.780614 0.421023 0.427131
H 4.621338 0.141395 -1.318139
H 5.875972 -1.864568 0.697841
H 6.783771 -0.847802 -0.458043
H 5.711815 -2.145936 -1.058047
H -3.899708 -1.138360 2.140477
H -3.128524 0.433241 2.586300
H -2.814463 -1.042321 3.574357
H -3.189189 -3.040340 0.528492
H -3.017397 -3.270385 -1.253594
H -3.970780 -1.873796 -0.621308


