%chk=000179177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179177

0 1
O 0.204172 0.299505 -2.172394
O -1.711231 1.542020 -1.906477
O 3.703896 0.737929 1.351337
N -1.541272 -0.673047 -1.150598
N 1.916996 0.700696 -4.972479
C -2.939797 -0.808177 -0.648385
C -3.761086 -1.769765 -1.560170
C -2.853554 -1.289354 0.789608
C -5.170321 -1.936559 -0.984121
C -3.824758 -1.229197 -2.990686
C -2.443383 -2.594996 1.096850
C -3.177783 -0.402915 1.827112
C -1.121846 0.493547 -1.747049
C -2.367383 -3.010857 2.428993
C -3.102030 -0.823263 3.157974
C -2.698143 -2.127287 3.461420
C 0.885232 1.481920 -2.692579
C 1.948354 1.899924 -1.696030
C 2.288013 1.051718 -0.638187
C 2.566041 3.148348 -1.843356
C 3.240393 1.498092 0.283764
C 3.534610 3.557245 -0.917051
C 3.878773 2.744009 0.161605
C 1.466221 1.043207 -3.967455
C 2.890020 -0.265506 1.893444
C 1.514405 -0.109200 2.092977
C 3.594483 -1.401591 2.315532
C 0.823114 -1.142893 2.730740
C 2.880031 -2.412813 2.960063
C 1.499525 -2.289254 3.161991
H -3.422769 0.210837 -0.686871
H -3.260705 -2.769203 -1.578926
H -5.150296 -2.338574 0.036220
H -5.764665 -2.627356 -1.593684
H -5.715326 -0.986047 -0.952680
H -2.837473 -1.208464 -3.466041
H -4.472137 -1.850574 -3.620389
H -4.223089 -0.207499 -3.027738
H -0.922309 -1.479383 -1.099197
H -2.189904 -3.292562 0.300111
H -3.489253 0.616723 1.599763
H -2.052075 -4.026996 2.662171
H -3.359425 -0.132162 3.959986
H -2.643546 -2.454136 4.498520
H 0.126616 2.302720 -2.856214
H 1.823679 0.067948 -0.550181
H 2.303111 3.802787 -2.672062
H 4.020029 4.526904 -1.037698
H 4.621823 3.047326 0.896662
H 0.999187 0.793623 1.772507
H 4.665939 -1.474645 2.142973
H -0.253509 -1.051459 2.891542
H 3.402350 -3.305869 3.303155
H 0.951356 -3.086530 3.658778


%chk=000179177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179177

0 1
O 0.291703 -0.120788 -2.328739
O -1.519212 1.396391 -2.143451
O 3.657334 0.945051 1.519340
N -1.637596 -0.823562 -1.358450
N 2.849549 -0.016100 -4.567805
C -3.009582 -0.765306 -0.792487
C -4.019892 -1.612754 -1.629371
C -2.944957 -1.142386 0.693492
C -5.447654 -1.466493 -1.050678
C -3.990723 -1.198930 -3.118232
C -2.824050 -2.493926 1.109729
C -2.951990 -0.126340 1.681718
C -1.033614 0.254641 -1.943925
C -2.714931 -2.820558 2.479970
C -2.845477 -0.448407 3.053689
C -2.726195 -1.798375 3.457961
C 1.119441 1.016036 -2.816575
C 1.819056 1.726654 -1.657304
C 2.389788 0.962593 -0.614041
C 1.893755 3.138056 -1.638841
C 3.021297 1.629342 0.457836
C 2.560896 3.786888 -0.574467
C 3.124263 3.039070 0.479921
C 2.070054 0.427332 -3.782223
C 3.150182 -0.296448 1.993218
C 1.764998 -0.553168 2.121404
C 4.111554 -1.230937 2.433683
C 1.345569 -1.777257 2.688873
C 3.677452 -2.448197 3.003535
C 2.296172 -2.728390 3.129330
H -3.313561 0.294791 -0.880842
H -3.724158 -2.681571 -1.562279
H -5.506073 -1.797973 0.000734
H -6.164359 -2.066610 -1.639884
H -5.778884 -0.410972 -1.095148
H -2.988909 -1.332323 -3.562413
H -4.705579 -1.808676 -3.700208
H -4.274919 -0.136243 -3.236321
H -1.079190 -1.670363 -1.232299
H -2.825002 -3.301414 0.367082
H -3.039303 0.922457 1.372691
H -2.628531 -3.869556 2.785136
H -2.856835 0.349681 3.804173
H -2.646984 -2.050713 4.521159
H 0.455228 1.731570 -3.340398
H 2.329030 -0.129627 -0.637056
H 1.430159 3.724636 -2.439463
H 2.627132 4.879664 -0.557316
H 3.633604 3.520794 1.319614
H 1.028032 0.188872 1.797974
H 5.173793 -0.992266 2.326198
H 0.273158 -1.976942 2.793090
H 4.419846 -3.177468 3.345834
H 1.964419 -3.674585 3.569935


