%chk=000232725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232725

0 1
S -3.555804 2.018140 0.992557
S 3.370752 -1.764931 -0.610396
N -1.375900 0.482228 0.762357
N 1.220404 -0.187591 -0.353425
C -0.746000 -0.862021 1.036876
C 0.589104 1.156100 -0.629207
C -0.306797 1.518215 0.582483
C 0.150021 -1.223007 -0.174972
C -1.821446 -1.943840 1.194821
C 1.662322 2.239878 -0.789546
C -2.343086 0.904225 1.797524
C 2.184382 -0.608812 -1.392894
C -4.179162 1.059101 -0.420844
C 4.006835 -0.851436 0.828186
C -5.291661 0.122571 0.026107
C 5.085506 0.145373 0.434229
C -5.877187 -0.650150 -1.167299
C 6.374471 -0.531148 -0.054387
C -6.990700 -1.599105 -0.731066
C 7.467377 0.491611 -0.357033
H -0.110465 -0.831154 1.960148
H -0.046990 1.123315 -1.552143
H -0.799666 2.496604 0.383405
H 0.322610 1.643789 1.490030
H -0.479286 -1.346902 -1.082855
H 0.641386 -2.202497 0.022595
H -2.416881 -1.797579 2.104002
H -1.373830 -2.941877 1.255507
H -2.520496 -1.940819 0.347601
H 1.211154 3.235351 -0.865716
H 2.266139 2.085707 -1.692018
H 2.353054 2.249182 0.063816
H -1.916782 1.486593 2.641678
H -2.882814 0.034930 2.229219
H 1.749553 -1.162572 -2.251878
H 2.743468 0.259472 -1.801914
H -3.339231 0.505757 -0.889622
H -4.535942 1.796652 -1.164896
H 4.389279 -1.614949 1.532549
H 3.158908 -0.341281 1.331826
H -4.913065 -0.593769 0.782076
H -6.097568 0.691303 0.533250
H 4.707072 0.836816 -0.344939
H 5.316390 0.790033 1.308431
H -6.267325 0.061434 -1.921202
H -5.076184 -1.221334 -1.675887
H 6.734991 -1.251572 0.705090
H 6.162463 -1.132513 -0.962060
H -7.817501 -1.059094 -0.254997
H -7.405162 -2.143444 -1.587067
H -6.630003 -2.343338 -0.012146
H 7.734140 1.075698 0.530581
H 8.379966 -0.001025 -0.711491
H 7.154985 1.197784 -1.134450


%chk=000232725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232725

0 1
S -3.593435 2.212898 1.031505
S 3.355547 -1.893872 -0.605003
N -1.350968 0.502588 0.880886
N 1.126135 -0.169318 -0.421828
C -0.789379 -0.871179 1.049635
C 0.562633 1.204261 -0.591996
C -0.301520 1.517648 0.647323
C 0.075151 -1.183798 -0.189730
C -1.878107 -1.952429 1.196309
C 1.650452 2.285976 -0.741708
C -2.372515 0.949676 1.815232
C 2.139943 -0.614135 -1.366716
C -4.221712 1.140263 -0.394488
C 4.014294 -0.827922 0.817386
C -5.337713 0.160450 0.006259
C 5.141903 0.137620 0.410608
C -5.795633 -0.725113 -1.179061
C 6.443751 -0.564576 -0.034655
C -6.920704 -1.707243 -0.786241
C 7.546667 0.431531 -0.451771
H -0.115537 -0.906559 1.942380
H -0.112189 1.236801 -1.484151
H -0.810156 2.487237 0.494312
H 0.377783 1.609929 1.532116
H -0.604187 -1.273174 -1.074957
H 0.582334 -2.154419 -0.038707
H -2.386205 -1.917085 2.175537
H -1.417995 -2.952911 1.105754
H -2.638639 -1.847017 0.400501
H 1.190786 3.286201 -0.646291
H 2.153390 2.253236 -1.723708
H 2.415174 2.178804 0.049569
H -1.981659 1.513167 2.690956
H -2.968022 0.100056 2.175562
H 1.740633 -1.163335 -2.247944
H 2.740523 0.235492 -1.718827
H -3.327485 0.612946 -0.777734
H -4.566469 1.854011 -1.163579
H 4.355483 -1.548775 1.581612
H 3.126117 -0.293448 1.202785
H -4.983425 -0.490921 0.831078
H -6.202437 0.725887 0.405276
H 4.786505 0.804028 -0.402453
H 5.361696 0.797758 1.277654
H -6.142777 -0.075637 -2.008432
H -4.926208 -1.292289 -1.570731
H 6.811805 -1.203996 0.794095
H 6.208606 -1.244406 -0.876628
H -7.810420 -1.162530 -0.418253
H -7.235028 -2.327452 -1.645779
H -6.588944 -2.389155 0.019543
H 7.806305 1.113722 0.380330
H 8.469845 -0.094064 -0.757802
H 7.215806 1.054676 -1.304434


