%chk=000199366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199366

0 1
O -0.228905 -0.653455 1.086949
O -1.050199 -2.516463 0.065784
N -3.423885 0.332452 -1.265528
C 0.226457 0.048361 -0.144730
C -0.955997 0.118510 -1.153328
C -2.206279 0.747324 -0.492584
C 0.587998 1.430964 0.385955
C 1.431333 -0.747579 -0.625373
C -0.576929 0.875312 -2.425130
C 1.423167 2.270617 -0.368736
C 1.293309 -1.747268 -1.600281
C 0.076262 1.887944 1.608326
C 2.692727 -0.531524 -0.047503
C -3.821824 -1.065998 -0.924078
C -4.555579 1.270294 -0.998785
C -0.773224 -1.911721 1.074109
C 1.730498 3.553010 0.090991
C 2.402312 -2.484901 -2.022430
C 0.390228 3.170571 2.067740
C 3.801157 -1.270888 -0.468344
C -0.946658 -2.342687 2.509897
C 1.214321 4.006639 1.309560
C 3.660273 -2.244043 -1.462353
C -2.341136 -2.909749 2.734704
H -1.210762 -0.942211 -1.443827
H -2.256123 0.461192 0.580248
H -2.118607 1.854903 -0.515232
H -1.408019 0.817796 -3.145387
H 0.311850 0.456801 -2.907524
H -0.396340 1.939797 -2.240016
H 1.838258 1.919983 -1.314479
H 0.305335 -1.970910 -2.015681
H -0.561583 1.234868 2.206504
H 2.813700 0.213465 0.740778
H -4.585818 -1.398915 -1.643399
H -2.948015 -1.736693 -1.042636
H -4.215512 -1.202678 0.092362
H -5.426784 0.956238 -1.595815
H -4.866362 1.338177 0.053406
H -4.274155 2.277281 -1.346178
H 2.375517 4.200008 -0.501151
H 2.281558 -3.253726 -2.783752
H -0.009537 3.516971 3.019044
H 4.775098 -1.089699 -0.017650
H -0.745018 -1.494396 3.199505
H -0.169090 -3.105757 2.736449
H 1.455505 5.006021 1.665852
H 4.524600 -2.816803 -1.792938
H -2.564470 -3.717700 2.021867
H -2.440152 -3.324128 3.745323
H -3.117201 -2.144007 2.613197


%chk=000199366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199366

0 1
O -0.282521 -0.603622 1.201199
O -1.023204 -2.601518 0.206295
N -3.507242 0.500576 -1.278751
C 0.181006 0.070427 -0.105923
C -1.026272 0.142054 -1.112286
C -2.292198 0.777136 -0.470322
C 0.592246 1.480778 0.361407
C 1.385932 -0.759933 -0.596839
C -0.688010 0.898876 -2.417991
C 1.490108 2.250677 -0.423483
C 1.310489 -1.665235 -1.684134
C 0.046728 2.065221 1.531916
C 2.604439 -0.681216 0.129700
C -4.044880 -0.858522 -1.057170
C -4.551093 1.530378 -1.106135
C -0.774530 -1.908980 1.219386
C 1.827833 3.570157 -0.053115
C 2.427583 -2.446771 -2.052599
C 0.390296 3.383411 1.907933
C 3.718733 -1.467602 -0.229140
C -0.943945 -2.366031 2.664250
C 1.279113 4.144952 1.116241
C 3.637555 -2.351752 -1.329891
C -1.876490 -3.584035 2.797701
H -1.275127 -0.901697 -1.369206
H -2.418784 0.420212 0.581031
H -2.154159 1.873444 -0.421945
H -1.584376 0.872247 -3.061809
H 0.156648 0.446628 -2.965951
H -0.442824 1.957236 -2.218865
H 1.937652 1.812126 -1.321632
H 0.378151 -1.784825 -2.241593
H -0.628616 1.476633 2.157809
H 2.676031 0.001534 0.983423
H -4.867319 -1.053344 -1.768838
H -3.262752 -1.618118 -1.221538
H -4.442004 -1.002533 -0.018477
H -5.393134 1.321914 -1.791386
H -4.963758 1.579699 -0.065325
H -4.142393 2.524506 -1.359642
H 2.523740 4.144729 -0.674716
H 2.346688 -3.138640 -2.898377
H -0.036337 3.813252 2.821461
H 4.647648 -1.389927 0.346975
H -1.294615 -1.509644 3.268150
H 0.068695 -2.609780 3.044369
H 1.544583 5.167295 1.408042
H 4.502296 -2.961295 -1.615580
H -1.531870 -4.409942 2.153150
H -1.901019 -3.937153 3.843723
H -2.907420 -3.332384 2.492200


