%chk=000234729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234729

0 1
O 4.688427 -1.844266 -0.327229
O 2.419625 1.106656 2.294108
O 5.811401 0.036948 0.163391
O 3.584182 -0.762177 2.709839
O 0.114760 -2.612252 0.127635
O 3.331733 0.780360 -2.370997
O -5.765251 2.144113 0.049351
N 3.288325 1.390735 -0.164371
N -5.774534 -0.157981 -0.123692
C 3.336273 0.015873 0.364562
C 2.247654 -0.904112 -0.227616
C 0.836360 -0.342550 -0.065778
C 4.760125 -0.542555 0.069276
C 3.175099 0.024356 1.899843
C -0.203190 -1.444366 0.026003
C -1.635662 -1.038555 -0.009131
C 3.294655 1.672388 -1.547367
C -2.598647 -2.060092 -0.116901
C -2.063982 0.295281 0.067932
C 3.259860 3.136846 -1.868412
C -4.372882 -0.413472 -0.079802
C -3.956210 -1.762324 -0.155600
C -3.418634 0.614850 0.034719
C -6.399070 1.116735 -0.057320
C -7.897579 1.053175 -0.131709
H 2.470285 -1.071584 -1.310393
H 2.325691 -1.921542 0.229699
H 0.603043 0.326209 -0.921609
H 0.761879 0.300503 0.839309
H 3.260363 2.141597 0.527127
H -2.260623 -3.101905 -0.168817
H -1.338769 1.105736 0.159373
H 2.409469 3.660535 -1.413421
H 3.180735 3.277718 -2.960664
H 4.181124 3.648842 -1.551762
H -4.681135 -2.567795 -0.242035
H -3.738233 1.661480 0.097145
H 5.586753 -2.232759 -0.536070
H 2.284959 1.134978 3.283744
H -6.371977 -0.984190 -0.211935
H -8.339958 0.484383 0.697505
H -8.257434 0.617376 -1.073787
H -8.317113 2.073405 -0.074743


%chk=000234729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234729

0 1
O 4.788266 -1.817755 0.230745
O 2.887431 1.760624 2.222026
O 5.775916 0.280103 0.341517
O 3.138269 -0.458673 2.855654
O 0.097587 -2.494556 -0.866391
O 3.978994 0.371861 -2.254657
O -5.996144 2.000598 0.807003
N 3.207424 1.371387 -0.313004
N -5.878221 -0.134373 -0.166731
C 3.295200 0.115946 0.449652
C 2.224327 -0.931524 0.012952
C 0.791379 -0.397850 0.170339
C 4.756132 -0.435978 0.307705
C 3.112898 0.400705 1.956899
C -0.253893 -1.384348 -0.366489
C -1.701581 -1.006244 -0.286749
C 3.596198 1.416293 -1.643195
C -2.671795 -1.925140 -0.775029
C -2.154572 0.227715 0.251862
C 3.548257 2.787365 -2.301458
C -4.479684 -0.377297 -0.183315
C -4.037673 -1.619185 -0.725301
C -3.522862 0.552198 0.309481
C -6.568326 0.991979 0.302283
C -8.085555 0.914673 0.152928
H 2.423047 -1.197480 -1.037078
H 2.364951 -1.846305 0.609346
H 0.679217 0.567091 -0.364110
H 0.554902 -0.191648 1.235261
H 3.036546 2.230232 0.214096
H -2.318607 -2.874794 -1.189854
H -1.434438 0.957495 0.636224
H 3.038859 3.550192 -1.688177
H 3.035746 2.703778 -3.274151
H 4.580901 3.124124 -2.501502
H -4.772734 -2.339988 -1.106669
H -3.866735 1.501012 0.723775
H 5.733038 -2.122097 0.155543
H 2.798108 1.901515 3.202761
H -6.455100 -0.885411 -0.552750
H -8.450447 -0.040222 -0.263515
H -8.423517 1.738191 -0.499821
H -8.549812 1.072390 1.141297


