%chk=000215873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215873

0 1
O -5.204572 -0.826133 2.002424
O 2.532961 -2.122526 -0.641340
O 2.370845 -1.705815 1.569711
N -1.112153 0.009835 -0.177591
C -2.498365 -0.577933 -0.054438
C -3.337298 0.270940 0.945397
C -5.473865 -0.247993 -0.324568
C -3.180688 -0.631827 -1.440284
C -4.659351 -1.034856 -1.366940
C -3.479825 1.764414 0.597442
C -4.734364 -0.334252 1.004286
C -5.667458 1.244534 -0.650407
C -4.360268 2.048391 -0.627845
C -0.402673 0.008736 1.147663
C -0.271605 -0.730505 -1.178099
C 1.858562 0.098667 -0.044019
C 0.941853 0.739216 1.025498
C 1.069510 -0.003024 -1.365058
C 3.138440 0.920491 -0.154674
C 2.268177 -1.308073 0.431551
C 4.060110 0.892839 0.907887
C 3.409056 1.725512 -1.268373
C 5.231199 1.649038 0.848891
C 4.584381 2.483025 -1.324630
C 3.030455 -3.473295 -0.372751
C 5.498294 2.446743 -0.269432
C 4.503380 -3.414314 -0.026693
H -2.454710 -1.623607 0.356354
H -2.864174 0.195784 1.958053
H -6.480256 -0.724224 -0.224294
H -2.645899 -1.339469 -2.102046
H -3.090616 0.369158 -1.923375
H -5.121111 -0.903119 -2.364952
H -4.739673 -2.116722 -1.137044
H -2.467236 2.184745 0.419275
H -3.888392 2.294021 1.480299
H -6.382263 1.676545 0.079046
H -6.147983 1.345325 -1.642038
H -3.775344 1.821350 -1.548309
H -4.589582 3.129808 -0.672842
H -1.035774 0.544909 1.890698
H -0.240966 -1.016687 1.550415
H -0.092841 -1.791186 -0.893900
H -0.803438 -0.745299 -2.154611
H 0.768697 1.800162 0.752291
H 1.446434 0.743210 2.012378
H 1.673423 -0.533156 -2.129216
H 0.874187 1.018414 -1.752943
H 3.862841 0.275442 1.788005
H 2.708811 1.776455 -2.101434
H 5.938161 1.618058 1.676871
H 4.783898 3.103526 -2.196995
H 2.421149 -3.919528 0.433123
H 2.828507 -3.964432 -1.341631
H 6.412090 3.035634 -0.314927
H 4.948671 -4.414963 0.011614
H 5.065764 -2.822962 -0.761462
H 4.662088 -2.943027 0.954990


%chk=000215873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215873

0 1
O -5.413484 -0.874947 1.973762
O 2.628694 -2.132167 -0.688538
O 2.360781 -1.732543 1.587132
N -1.189878 -0.022433 -0.155061
C -2.564082 -0.616837 -0.047262
C -3.438304 0.194745 0.979815
C -5.558189 -0.147824 -0.370976
C -3.237027 -0.725304 -1.446233
C -4.762407 -1.002912 -1.403943
C -3.497725 1.734945 0.718844
C -4.868202 -0.339303 0.970955
C -5.635808 1.380191 -0.689734
C -4.284629 2.131258 -0.555697
C -0.464993 -0.028592 1.148026
C -0.345320 -0.681111 -1.190094
C 1.822311 0.076551 -0.040340
C 0.897519 0.684780 1.055269
C 1.008691 0.034880 -1.357853
C 3.131886 0.902199 -0.155551
C 2.269573 -1.338706 0.399699
C 3.955287 1.062582 0.991747
C 3.540903 1.511565 -1.367872
C 5.144855 1.818384 0.930932
C 4.731572 2.271835 -1.429857
C 3.227008 -3.468870 -0.373581
C 5.538299 2.431245 -0.281688
C 4.732373 -3.336652 -0.128723
H -2.495662 -1.657662 0.372573
H -3.044915 0.021704 1.997435
H -6.586733 -0.547734 -0.298312
H -2.767436 -1.548945 -2.016068
H -3.032278 0.201926 -2.008636
H -5.188823 -0.847103 -2.414326
H -4.930884 -2.069509 -1.152459
H -2.464455 2.121861 0.651904
H -3.974583 2.203107 1.603584
H -6.367777 1.826847 0.013145
H -6.051082 1.516616 -1.708067
H -3.658570 1.954376 -1.446574
H -4.480767 3.221170 -0.533017
H -1.071273 0.498303 1.903029
H -0.313914 -1.073624 1.519775
H -0.172450 -1.762732 -0.946931
H -0.867657 -0.646260 -2.159148
H 0.737981 1.750596 0.805886
H 1.389280 0.632655 2.041549
H 1.582556 -0.467157 -2.155687
H 0.806560 1.076823 -1.671416
H 3.671631 0.580102 1.934505
H 2.938566 1.397812 -2.273667
H 5.764824 1.928000 1.827930
H 5.027839 2.737190 -2.377002
H 2.709176 -3.885519 0.508108
H 3.002127 -4.069552 -1.269384
H 6.460792 3.020529 -0.330701
H 5.174296 -4.338730 0.024980
H 5.232182 -2.865263 -0.992233
H 4.930949 -2.730789 0.771051


