%chk=000218970.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218970

0 1
O -0.124753 0.442858 2.878208
O 1.278197 -0.291685 0.651496
N -2.620554 0.333458 0.267854
C -2.702243 0.106374 -1.217925
C -3.880337 0.993875 0.756870
C -4.227032 0.171312 -1.543124
C -4.956125 0.443949 -0.221456
C -1.347301 0.851816 0.818819
C -1.941612 1.153992 -2.053735
C -2.137939 -1.295241 -1.508670
C -3.836260 2.534335 0.685913
C -4.149598 0.549538 2.201447
C -0.779109 -0.215053 1.787067
C 0.204479 -1.174391 1.096327
C 2.388991 -0.862156 0.061081
C 3.378205 0.086239 -0.303397
C 2.542654 -2.231323 -0.171963
C 4.549956 -0.389226 -0.913716
C 3.162292 1.539182 -0.034356
C 3.721722 -2.672699 -0.783954
C 4.713895 -1.768550 -1.150997
C 5.633035 0.559014 -1.317507
H -4.578151 -0.766668 -2.002314
H -4.441741 0.964357 -2.278313
H -5.789684 1.150162 -0.349395
H -5.396435 -0.487559 0.175784
H -0.599592 1.078021 0.025699
H -1.486657 1.798745 1.389984
H -0.864791 1.131187 -1.842611
H -2.062179 0.969780 -3.125308
H -2.296128 2.168739 -1.846101
H -1.095202 -1.384689 -1.167449
H -2.713630 -2.063389 -0.978669
H -2.162131 -1.524705 -2.576833
H -4.770780 2.975018 1.044391
H -3.028134 2.941568 1.304496
H -3.676126 2.881241 -0.339901
H -5.125206 0.899951 2.549470
H -4.131141 -0.543293 2.289619
H -3.390552 0.937430 2.891443
H -1.594625 -0.788119 2.290007
H -0.249915 -1.656201 0.205396
H 0.616085 -1.920063 1.795152
H 0.740690 0.809851 2.586942
H 1.780218 -2.947897 0.109214
H 3.266144 2.136625 -0.950132
H 2.158120 1.737766 0.369386
H 3.888420 1.918823 0.697766
H 3.858893 -3.737280 -0.972195
H 5.624270 -2.127140 -1.624263
H 5.270977 1.280242 -2.064581
H 5.996298 1.138242 -0.456062
H 6.501722 0.049637 -1.753802


%chk=000218970-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218970

0 1
O 0.122808 1.296196 2.951019
O 1.217030 -0.022392 0.747330
N -2.469536 0.573724 0.254155
C -2.391378 0.598211 -1.257107
C -3.896512 0.550071 0.722291
C -3.846159 0.208018 -1.692544
C -4.548435 -0.288243 -0.408867
C -1.462489 1.294677 1.046554
C -2.016358 1.988077 -1.854080
C -1.359408 -0.447605 -1.753175
C -4.551420 1.965591 0.806482
C -4.043485 -0.150274 2.092952
C -0.713149 0.427129 2.102979
C 0.136012 -0.694375 1.499586
C 2.234488 -0.817949 0.176000
C 3.290652 -0.106613 -0.463143
C 2.214441 -2.232299 0.223971
C 4.352292 -0.852930 -1.049583
C 3.284108 1.410999 -0.503124
C 3.273614 -2.953391 -0.367009
C 4.335010 -2.270725 -0.995004
C 5.504853 -0.136777 -1.733137
H -3.832782 -0.556319 -2.488947
H -4.369388 1.094339 -2.096954
H -5.644965 -0.159154 -0.443121
H -4.330823 -1.358262 -0.233878
H -0.695913 1.722873 0.374617
H -1.896326 2.149626 1.608363
H -0.962884 2.257918 -1.651618
H -2.140780 1.967142 -2.952986
H -2.663023 2.787102 -1.449110
H -0.351977 -0.228325 -1.355251
H -1.651866 -1.461900 -1.426105
H -1.294930 -0.441537 -2.858105
H -5.585272 1.891643 1.192359
H -3.988676 2.626214 1.491876
H -4.589299 2.452632 -0.183495
H -5.113419 -0.317330 2.318192
H -3.532349 -1.129720 2.082414
H -3.625825 0.460705 2.914622
H -1.439128 -0.027316 2.796353
H -0.477768 -1.319021 0.824002
H 0.580942 -1.313340 2.302804
H 0.943175 1.500870 2.429637
H 1.393458 -2.768621 0.706983
H 3.510924 1.786292 -1.518018
H 2.306510 1.811896 -0.195535
H 4.052871 1.833891 0.173671
H 3.266563 -4.048440 -0.333292
H 5.157662 -2.835206 -1.448368
H 5.164740 0.427202 -2.623521
H 5.988572 0.595204 -1.058997
H 6.274594 -0.854180 -2.064036


