%chk=000199393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199393

0 1
O 2.848725 -1.432740 1.115069
N -1.367263 -1.556596 1.507305
C 0.774969 -0.330714 1.287094
C 2.135653 -0.326520 0.520897
C 0.070874 -1.699605 1.111695
C 0.990251 -0.032885 2.772001
C 1.948155 -0.596126 -0.973566
C 2.935721 0.965326 0.691540
C -2.202494 -1.092263 0.351979
C -1.910057 -2.825094 2.097850
C -3.428491 -0.335322 0.901169
C 1.372773 0.374531 -1.805361
C 2.296443 2.210425 0.776621
C 2.334988 -1.828125 -1.519669
C 4.337108 0.914669 0.731235
C -1.365921 -3.012151 3.515040
C -4.231017 0.256627 -0.222554
C 1.197089 0.118248 -3.168205
C 3.047665 3.382477 0.903530
C 2.161683 -2.081157 -2.882860
C 5.087518 2.085753 0.859216
C 1.593268 -1.108113 -3.710665
C 4.443837 3.324082 0.945100
C -4.012482 1.582824 -0.626985
C -5.201057 -0.514990 -0.881919
C -4.758024 2.129319 -1.674842
C -5.943427 0.035965 -1.929401
C -5.724630 1.358498 -2.328361
H 0.130462 0.467292 0.842310
H 0.193339 -2.076358 0.074403
H 0.579995 -2.444987 1.763541
H 0.050145 -0.166932 3.325044
H 1.733091 -0.715953 3.204951
H 1.341484 0.987912 2.946314
H -1.603582 -0.401016 -0.281841
H -2.529471 -1.918273 -0.314366
H -3.019404 -2.743420 2.141695
H -1.682142 -3.719731 1.478932
H 3.793036 -1.433341 0.844568
H -4.052956 -1.013231 1.517515
H -3.085779 0.448825 1.609092
H 1.065068 1.336434 -1.397879
H 1.208354 2.272630 0.752616
H 2.759624 -2.597037 -0.871798
H 4.846293 -0.048539 0.666166
H -1.819080 -3.881376 4.000564
H -0.277418 -3.149735 3.518804
H -1.573184 -2.128476 4.133081
H 0.750676 0.877498 -3.808349
H 2.541482 4.344271 0.971444
H 2.467562 -3.039302 -3.299316
H 6.174589 2.032975 0.890994
H 1.458055 -1.304823 -4.772237
H 5.026820 4.237435 1.044183
H -3.261792 2.187330 -0.122564
H -5.375781 -1.544212 -0.576572
H -4.585710 3.159165 -1.982520
H -6.695145 -0.566715 -2.436115
H -6.304389 1.785749 -3.142913


%chk=000199393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199393

0 1
O 2.958442 -1.544598 0.997796
N -1.395485 -1.561317 1.534455
C 0.794811 -0.336278 1.160352
C 2.170226 -0.434824 0.397168
C 0.017804 -1.682476 1.089020
C 0.983907 0.084050 2.633273
C 2.039203 -0.690450 -1.126137
C 3.004235 0.842978 0.624080
C -2.284419 -1.002373 0.487216
C -1.923384 -2.818940 2.131721
C -3.523567 -0.267216 1.071264
C 0.917029 -0.283962 -1.891517
C 2.572806 2.074430 0.069384
C 3.126462 -1.305879 -1.802438
C 4.189389 0.815875 1.396574
C -1.415190 -3.065855 3.565087
C -4.352874 0.382698 -0.025831
C 0.874186 -0.498199 -3.287845
C 3.307922 3.258921 0.289318
C 3.086505 -1.521203 -3.196503
C 4.929366 2.001356 1.611734
C 1.957352 -1.119972 -3.947772
C 4.492102 3.227890 1.062948
C -4.169043 1.749905 -0.359146
C -5.292125 -0.372736 -0.775995
C -4.901059 2.347545 -1.410212
C -6.026530 0.219223 -1.828060
C -5.832684 1.582894 -2.150113
H 0.191699 0.447286 0.659293
H 0.078542 -2.110951 0.058018
H 0.520797 -2.395257 1.769208
H 0.018631 -0.018610 3.159017
H 1.730924 -0.565296 3.125213
H 1.328900 1.127986 2.722203
H -1.708795 -0.268562 -0.105347
H -2.627064 -1.786122 -0.234870
H -3.025802 -2.742560 2.160878
H -1.687435 -3.703844 1.487375
H 2.547428 -2.397021 0.704943
H -4.143097 -0.985644 1.641490
H -3.157364 0.488148 1.789890
H 0.061713 0.200963 -1.409439
H 1.670646 2.110989 -0.552475
H 4.008397 -1.599409 -1.223545
H 4.520010 -0.135925 1.819566
H -1.842529 -4.002079 3.970728
H -0.314552 -3.155414 3.604305
H -1.708034 -2.228453 4.222001
H -0.006540 -0.179421 -3.856824
H 2.962776 4.202494 -0.148696
H 3.938273 -1.994988 -3.697857
H 5.846497 1.965740 2.211154
H 1.924263 -1.285641 -5.030376
H 5.066085 4.146204 1.231241
H -3.453285 2.350507 0.216480
H -5.455148 -1.429075 -0.526552
H -4.749987 3.406853 -1.648029
H -6.750971 -0.378701 -2.393047
H -6.404267 2.044721 -2.963067


