%chk=000180314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180314

0 1
O -2.921186 1.180243 -0.212489
O -3.013596 -0.026196 2.256209
N 1.349510 -0.859625 -0.493079
C -0.903384 -2.036287 -0.168819
C -1.387630 -1.083805 -1.296503
C 0.676452 -2.188584 -0.229936
C -3.396157 -0.227540 -0.145328
C -2.915617 -0.998839 -1.374985
C -1.430079 -1.481914 1.171419
C -2.876475 -0.929065 1.155190
C -0.827307 0.249807 -0.902277
C 0.537810 0.296052 -0.613574
C -1.571686 1.341773 -0.466603
C 1.041728 -3.103464 -1.412333
C 1.198188 -2.791140 1.080304
C -4.900601 -0.009363 -0.092083
C 1.210723 1.483802 -0.217036
C 2.617282 -0.383008 -0.033287
C 2.569878 1.061707 0.086572
C -0.952457 2.584306 -0.135857
C 0.443441 2.647326 -0.051998
C 3.796657 -1.087799 0.210808
C 3.718047 1.757382 0.450993
C -1.798295 3.778949 0.149485
C 4.929093 -0.356200 0.579621
C 4.893766 1.040888 0.698747
H -1.328813 -3.051862 -0.329019
H -0.975959 -1.404235 -2.282698
H -3.220390 -0.469221 -2.299616
H -3.378249 -1.999091 -1.426893
H -1.378444 -2.265545 1.951391
H -0.760429 -0.674281 1.537707
H -3.588382 -1.747362 1.420400
H 0.650825 -4.116128 -1.278018
H 0.654829 -2.711308 -2.361663
H 2.129675 -3.182360 -1.534722
H 1.149985 -2.076801 1.912647
H 0.622828 -3.676906 1.370174
H 2.247682 -3.102796 0.998698
H -5.198764 0.417063 0.879057
H -5.220411 0.707736 -0.861265
H -5.460309 -0.937597 -0.238710
H 0.932522 3.585848 0.202350
H -2.646269 0.860576 2.016145
H 3.837425 -2.167699 0.110012
H 3.698157 2.841463 0.537846
H -2.847199 3.498108 0.334138
H -1.448193 4.334050 1.028943
H -1.797369 4.472460 -0.703849
H 5.861644 -0.883880 0.776148
H 5.796802 1.575360 0.985332


%chk=000180314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180314

0 1
O -2.956838 1.232100 -0.238838
O -3.277564 -0.140571 2.299987
N 1.350304 -0.833175 -0.445536
C -0.893571 -2.008760 -0.146256
C -1.365302 -1.051860 -1.279960
C 0.693145 -2.184145 -0.191842
C -3.443779 -0.211471 -0.194472
C -2.892855 -0.969236 -1.414152
C -1.469297 -1.431329 1.187583
C -2.958027 -0.943453 1.111339
C -0.805581 0.285196 -0.869030
C 0.555870 0.319277 -0.560962
C -1.559580 1.385501 -0.441310
C 1.071063 -3.148705 -1.347005
C 1.182043 -2.772753 1.156850
C -4.967070 -0.058086 -0.203197
C 1.252281 1.494479 -0.180640
C 2.650890 -0.384174 -0.076562
C 2.624301 1.058557 0.076896
C -0.937340 2.628812 -0.082260
C 0.478199 2.676369 -0.005609
C 3.848028 -1.109215 0.105472
C 3.809509 1.744327 0.427212
C -1.797317 3.831697 0.256250
C 5.018055 -0.397748 0.455394
C 5.001997 1.013553 0.619092
H -1.305396 -3.024504 -0.318823
H -0.922063 -1.361539 -2.245297
H -3.178137 -0.429062 -2.335796
H -3.344408 -1.978983 -1.463376
H -1.423613 -2.184113 1.994877
H -0.850255 -0.578905 1.520596
H -3.617181 -1.828704 1.201224
H 0.683782 -4.164488 -1.145724
H 0.664798 -2.803289 -2.313232
H 2.168010 -3.213722 -1.453693
H 1.050780 -2.054308 1.982584
H 0.604799 -3.685326 1.391378
H 2.247536 -3.050862 1.118627
H -5.310179 0.433259 0.722356
H -5.280139 0.550910 -1.068126
H -5.454863 -1.047030 -0.272906
H 0.955124 3.623267 0.273239
H -2.965563 0.785872 2.121365
H 3.893353 -2.192291 -0.042573
H 3.803888 2.834045 0.542019
H -2.537411 3.589797 1.042160
H -1.178116 4.673353 0.610514
H -2.378118 4.176279 -0.620053
H 5.956586 -0.946806 0.591823
H 5.926521 1.536957 0.886089


