%chk=000202045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202045

0 1
O 0.098641 -0.067085 0.875622
O 1.062254 -0.997748 -0.980564
N -2.869149 -2.171012 0.044408
N 2.328649 -0.018135 0.753963
C -1.259597 -0.344712 0.335965
C -1.532566 -1.834323 0.622809
C -2.139154 0.616446 1.132218
C -3.572477 -3.223250 0.834983
C -2.761912 -2.508779 -1.414640
C -2.192874 1.989798 0.522775
C -2.876832 -4.583805 0.923058
C -4.122291 -2.329765 -2.089155
C -1.027610 2.769513 0.444362
C -3.404740 2.504307 0.040016
C 1.170162 -0.427141 0.083904
C -1.077364 4.050601 -0.107872
C -3.449250 3.788874 -0.510446
C -2.288591 4.564273 -0.584832
C 3.663469 -0.209924 0.272967
C 4.714121 0.251304 1.092787
C 3.933000 -0.827528 -0.959968
C 6.031549 0.086491 0.663371
C 5.259168 -0.980361 -1.366389
C 6.310176 -0.527312 -0.562157
H -1.244698 -0.120422 -0.752795
H -1.525127 -2.011097 1.719334
H -0.699942 -2.446643 0.208399
H -1.768849 0.685163 2.178863
H -3.159309 0.171963 1.205565
H -3.736506 -2.815045 1.857339
H -4.584540 -3.347205 0.386317
H -2.025559 -1.817756 -1.885424
H -2.379441 -3.538067 -1.588827
H -2.707478 -5.017093 -0.069914
H -1.902694 -4.516822 1.418823
H -3.483049 -5.298586 1.490239
H -4.843042 -3.090205 -1.769877
H -4.555695 -1.350006 -1.847469
H -4.028336 -2.393635 -3.178496
H -0.085427 2.361995 0.810662
H -4.311448 1.904542 0.088677
H -0.171280 4.650872 -0.168811
H -4.392248 4.184516 -0.883652
H -2.325742 5.562857 -1.013850
H 2.211366 0.450901 1.657212
H 4.511451 0.729879 2.046953
H 3.116029 -1.183666 -1.595915
H 6.848780 0.440770 1.291581
H 5.473421 -1.458534 -2.322720
H 7.339781 -0.651302 -0.888598


%chk=000202045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202045

0 1
O 0.077194 -0.085526 0.912189
O 0.923439 -0.894184 -1.139066
N -2.871663 -2.282570 0.065779
N 2.308213 -0.032923 0.585239
C -1.313072 -0.390662 0.451018
C -1.636724 -1.870889 0.771089
C -2.247318 0.594380 1.175044
C -3.781497 -3.142451 0.864260
C -2.611985 -2.742308 -1.325960
C -2.152364 2.020803 0.656757
C -3.269854 -4.573592 1.185081
C -3.865808 -2.708585 -2.218901
C -1.365141 2.993875 1.322593
C -2.836194 2.398865 -0.528498
C 1.105188 -0.390249 -0.001167
C -1.261075 4.310887 0.819179
C -2.734859 3.713102 -1.036243
C -1.945582 4.675104 -0.363149
C 3.617072 -0.156033 0.043754
C 4.701457 0.267766 0.858657
C 3.870682 -0.674416 -1.253950
C 6.024988 0.175274 0.383378
C 5.202636 -0.760729 -1.713301
C 6.285809 -0.340830 -0.907519
H -1.344564 -0.233940 -0.642374
H -1.784455 -1.976696 1.862651
H -0.757327 -2.495543 0.494325
H -2.021814 0.555617 2.257832
H -3.268219 0.193591 1.024541
H -3.990587 -2.610660 1.812682
H -4.747580 -3.211510 0.330618
H -1.845276 -2.071861 -1.755952
H -2.165823 -3.767097 -1.346350
H -3.121101 -5.170325 0.267060
H -2.309469 -4.543346 1.732199
H -4.003737 -5.107334 1.817415
H -4.631896 -3.434537 -1.891208
H -4.318521 -1.701105 -2.205838
H -3.595769 -2.959015 -3.261235
H -0.829783 2.713378 2.237741
H -3.455125 1.658111 -1.051143
H -0.648440 5.050995 1.346938
H -3.271734 3.988655 -1.951288
H -1.867081 5.695754 -0.754437
H 2.222651 0.375939 1.518301
H 4.506968 0.668646 1.861879
H 3.035158 -0.996270 -1.878746
H 6.851291 0.506186 1.022250
H 5.391942 -1.160696 -2.715895
H 7.313950 -0.412945 -1.277428


