%chk=000212586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212586

0 1
O -0.555866 2.498733 2.207306
O 1.023721 1.221067 0.368446
O 2.597765 -0.717871 1.394009
N -2.573770 0.773080 -0.344166
C -4.006193 1.099617 -0.037398
C -2.452730 -0.562807 -1.015816
C -4.822653 1.130771 -1.340093
C -3.249296 -0.558138 -2.331232
C -4.721741 -0.206116 -2.085138
C -1.735185 0.832480 0.892851
C -1.035992 2.210456 0.892508
C 0.125629 2.269952 -0.116080
C 2.184412 0.992749 -0.317691
C 2.958056 -0.081805 0.199887
C 2.643069 1.696233 -1.435393
C 4.166887 -0.441819 -0.388089
C 3.864426 1.329801 -2.017084
C 4.621554 0.276309 -1.503036
C 1.486946 -1.555852 1.376235
C 0.863746 -2.028621 0.216252
C 1.064455 -1.928171 2.665660
C -0.213316 -2.908883 0.360751
C -0.012030 -2.804666 2.776085
C -0.653884 -3.294948 1.629293
H -4.031464 2.101140 0.443859
H -4.464857 0.383867 0.678566
H -2.793307 -1.399808 -0.368888
H -1.374757 -0.735062 -1.231532
H -5.877131 1.369290 -1.112209
H -4.448888 1.947571 -1.989273
H -3.163365 -1.544493 -2.821259
H -2.803142 0.179061 -3.028265
H -5.266013 -0.149359 -3.045683
H -5.212478 -1.006484 -1.499882
H -0.965382 0.026404 0.908936
H -2.307977 0.717589 1.837195
H -1.755553 3.040857 0.699304
H -0.207287 2.020974 -1.138737
H 0.658386 3.233459 -0.080611
H 0.196906 1.904400 2.437360
H 2.073105 2.521551 -1.851531
H 4.745080 -1.266272 0.029318
H 4.224330 1.882297 -2.885668
H 5.569100 0.006259 -1.964879
H 1.210410 -1.726285 -0.767859
H 1.580073 -1.535705 3.538639
H -0.708119 -3.299567 -0.528345
H -0.358326 -3.111222 3.763259
H -1.491052 -3.980610 1.730316


%chk=000212586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212586

0 1
O -0.598236 2.106403 2.400954
O 0.967993 1.037884 0.399763
O 2.859987 -0.700492 1.415251
N -2.711987 0.690216 -0.407775
C -4.011965 1.403697 -0.307873
C -2.880311 -0.664412 -0.997086
C -4.670966 1.558794 -1.693093
C -3.502130 -0.575083 -2.406150
C -4.851795 0.178362 -2.364300
C -1.962979 0.693198 0.873160
C -1.130562 1.990966 1.037610
C -0.001478 2.085114 0.003263
C 2.151290 0.904185 -0.326157
C 3.091101 -0.040950 0.181428
C 2.466906 1.629953 -1.498968
C 4.325036 -0.236448 -0.462421
C 3.707927 1.423225 -2.145408
C 4.640415 0.496522 -1.631056
C 1.790935 -1.624742 1.534389
C 1.144418 -2.211814 0.423170
C 1.435182 -1.975564 2.855975
C 0.120198 -3.159119 0.650086
C 0.411091 -2.923674 3.065145
C -0.253520 -3.518877 1.965699
H -3.840752 2.398318 0.144041
H -4.713841 0.851989 0.372668
H -3.533058 -1.310214 -0.351888
H -1.886193 -1.146363 -1.043257
H -5.646663 2.070030 -1.581933
H -4.026553 2.198393 -2.327161
H -3.637242 -1.595413 -2.814472
H -2.799162 -0.036883 -3.071730
H -5.264303 0.292252 -3.384662
H -5.585878 -0.417544 -1.782947
H -1.275268 -0.172438 0.892144
H -2.631573 0.605388 1.760525
H -1.786907 2.871160 0.915774
H -0.404485 1.881304 -1.007094
H 0.497353 3.072404 0.043991
H 0.160561 1.468954 2.473248
H 1.757322 2.357595 -1.903435
H 5.026395 -0.956976 -0.030480
H 3.942456 1.994853 -3.049790
H 5.603091 0.343270 -2.128668
H 1.438773 -1.938895 -0.595377
H 1.962693 -1.505234 3.691414
H -0.381164 -3.621513 -0.208072
H 0.131624 -3.196163 4.088910
H -1.047474 -4.254214 2.132844


