%chk=000194469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194469

0 1
O -2.695556 -1.334109 -2.874440
O -1.999109 0.503216 -0.512532
O 2.460002 -0.331402 0.518310
N -1.580273 -2.462137 0.476288
N 3.672760 -1.007687 0.534185
C -0.650049 -3.540039 0.967948
C -1.411097 -2.086371 -0.953845
C -2.765010 -1.546771 -1.460400
C 0.829333 -3.206764 0.701470
C -1.027444 -4.864477 0.280045
C -0.887942 -3.654031 2.488553
C -3.225399 -0.249227 -0.771380
C -2.103731 1.796658 -0.064513
C -0.862370 2.342634 0.368660
C -3.288028 2.543537 -0.045504
C -0.859340 3.676270 0.803405
C 0.328912 1.498789 0.370004
C -3.240275 3.867026 0.398536
C -2.033468 4.434034 0.819058
C 1.593869 1.940065 0.501534
C 2.733275 1.055104 0.516347
C 4.095057 1.236732 0.532804
C 4.662350 -0.099876 0.543080
C 6.100146 -0.439713 0.560298
H -1.478781 -1.617627 1.053052
H -0.610887 -1.332563 -1.119434
H -1.139670 -2.976511 -1.565956
H -3.566318 -2.321733 -1.371960
H 1.117302 -2.220549 1.087194
H 1.496746 -3.931699 1.179072
H 1.075086 -3.210924 -0.364589
H -0.855025 -4.826633 -0.800809
H -2.089671 -5.092345 0.429963
H -0.442954 -5.698056 0.679346
H -0.553874 -2.761135 3.025446
H -1.951414 -3.800134 2.712280
H -0.343121 -4.506429 2.906170
H -3.887614 0.336235 -1.432494
H -3.707557 -0.446718 0.201566
H -1.996395 -0.684464 -3.098468
H -4.229580 2.113875 -0.374364
H 0.075130 4.125847 1.144277
H 0.129531 0.421039 0.250098
H -4.155209 4.460833 0.415622
H -2.007459 5.465977 1.162253
H 1.839087 3.001174 0.600197
H 4.653086 2.149359 0.535097
H 6.270356 -1.529012 0.567387
H 6.614535 -0.033582 -0.324601
H 6.595557 -0.024786 1.451844


%chk=000194469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194469

0 1
O -2.216052 -1.238141 -3.162454
O -1.862872 0.462939 -0.675709
O 2.784635 -0.087119 -0.093062
N -1.681928 -2.499742 0.365258
N 4.123731 -0.700022 -0.161679
C -0.954481 -3.608192 1.074679
C -1.414498 -2.309294 -1.075838
C -2.582745 -1.569237 -1.774422
C 0.587374 -3.538045 0.864898
C -1.497804 -4.972994 0.583101
C -1.282741 -3.442020 2.578575
C -3.067647 -0.322490 -1.023421
C -2.008169 1.712108 -0.059980
C -0.787866 2.330118 0.379436
C -3.257810 2.347604 0.126494
C -0.883168 3.615661 0.982338
C 0.471167 1.601640 0.214230
C -3.310545 3.621686 0.732294
C -2.121865 4.261811 1.156361
C 1.729507 2.036074 0.554695
C 2.919252 1.229395 0.392951
C 4.269956 1.474816 0.635119
C 4.967056 0.268092 0.280773
C 6.442222 -0.016950 0.344999
H -1.524872 -1.611761 0.866123
H -0.473010 -1.746034 -1.279690
H -1.311593 -3.291558 -1.566312
H -3.447212 -2.247965 -1.874764
H 0.993577 -2.568717 1.211205
H 1.098078 -4.343619 1.424974
H 0.855266 -3.650756 -0.201616
H -1.271548 -5.146858 -0.484893
H -2.593088 -5.015245 0.716268
H -1.036230 -5.797570 1.156488
H -0.907270 -2.472970 2.962166
H -2.375075 -3.478797 2.738748
H -0.809789 -4.244651 3.171887
H -3.727271 0.265384 -1.689489
H -3.603737 -0.600322 -0.095840
H -1.403146 -0.669765 -3.134858
H -4.183727 1.863452 -0.195264
H 0.030811 4.110059 1.329079
H 0.383163 0.599978 -0.220525
H -4.280183 4.111846 0.871901
H -2.166108 5.250399 1.624478
H 1.900160 3.033192 0.977215
H 4.710539 2.394492 1.012889
H 6.647974 -1.043416 0.000872
H 7.007749 0.686031 -0.292693
H 6.819333 0.088371 1.378115


