%chk=000182268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182268

0 1
O -0.215812 0.066246 1.302915
O -3.633655 -0.108516 1.791546
O -5.409287 0.761944 0.479188
O 2.743086 2.876939 -0.223090
O 5.244361 1.277550 -0.390128
O -0.321205 -1.238890 3.159608
N 0.267900 -2.757570 -0.806724
C 0.146070 -1.264263 -0.769274
C -0.803025 -0.978853 0.473682
C -0.602463 -0.661384 -2.016880
C 1.498308 -0.583438 -0.630418
C -2.058932 -0.409066 -0.114644
C -1.951761 -0.227778 -1.532951
C 1.441104 -3.236222 -1.601373
C 2.717272 -1.289713 -0.706014
C 2.714537 -2.779021 -0.879330
C -3.245846 -0.046650 0.465024
C -0.974380 -3.459990 -1.244476
C 1.534269 0.804663 -0.441897
C -2.986261 0.281340 -2.297095
C 3.938270 -0.616016 -0.615672
C -4.315496 0.479673 -0.334224
C -4.217492 0.653490 -1.693183
C 2.750863 1.485007 -0.332280
C 3.968350 0.778007 -0.433018
C -0.023292 -0.189023 2.647773
C -5.012051 0.393896 1.838184
C 0.579962 1.026141 3.264396
C 2.357942 3.353909 1.091860
C 5.417621 2.716724 -0.328263
H -0.963378 -1.885989 1.104691
H -0.671390 -1.393274 -2.840475
H -0.045372 0.195424 -2.444810
H 1.437600 -2.869461 -2.650263
H 1.411636 -4.346741 -1.643644
H 3.609628 -3.130048 -1.427773
H 2.764270 -3.252961 0.128802
H -1.180468 -3.407696 -2.323989
H -1.853849 -3.060276 -0.714235
H -0.884271 -4.521215 -0.955365
H 0.603203 1.375859 -0.365932
H -2.872726 0.408195 -3.371503
H 4.883756 -1.151509 -0.684087
H -5.035074 1.055017 -2.285006
H -5.015225 1.304621 2.450964
H -5.657344 -0.430333 2.169724
H -0.123737 1.490690 3.971776
H 0.853699 1.786171 2.505499
H 1.488745 0.762281 3.827221
H 1.460357 2.834158 1.459479
H 2.151718 4.413942 0.908408
H 3.195427 3.219314 1.782165
H 4.811836 3.214408 -1.094742
H 6.490599 2.822201 -0.523928
H 5.149506 3.072088 0.669779


%chk=000182268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182268

0 1
O -0.372930 0.184270 1.499880
O -3.748538 -0.263537 1.847868
O -5.590238 0.554052 0.545831
O 3.108445 2.856118 0.267034
O 5.409560 1.143585 0.280682
O 0.405581 -1.506704 2.920259
N 0.199593 -2.575870 -0.898098
C 0.147699 -1.089431 -0.715663
C -0.843139 -0.841941 0.524649
C -0.558949 -0.350271 -1.935199
C 1.557308 -0.515973 -0.481247
C -2.116847 -0.335237 -0.090421
C -1.980564 -0.068588 -1.484239
C 1.387081 -3.085579 -1.613809
C 2.726098 -1.317674 -0.478929
C 2.637473 -2.803144 -0.769511
C -3.363847 -0.109850 0.492458
C -1.057024 -3.228834 -1.310240
C 1.691864 0.882835 -0.271855
C -3.064373 0.404276 -2.252650
C 3.982445 -0.705623 -0.256148
C -4.446077 0.366498 -0.278557
C -4.332821 0.635357 -1.646004
C 2.940811 1.484376 -0.022257
C 4.118880 0.674877 -0.021143
C 0.265123 -0.293734 2.659776
C -5.223923 -0.056568 1.848669
C 0.740915 0.868236 3.502641
C 1.904266 3.689818 0.288693
C 5.899627 2.337962 -0.437190
H -0.927644 -1.790920 1.084655
H -0.514296 -0.982706 -2.841783
H -0.030108 0.587391 -2.184001
H 1.507277 -2.641502 -2.634917
H 1.254755 -4.175031 -1.746006
H 3.548535 -3.146898 -1.295373
H 2.556291 -3.376262 0.174429
H -1.380393 -2.997221 -2.354747
H -1.885445 -2.947283 -0.639274
H -0.925620 -4.323135 -1.235906
H 0.789307 1.499090 -0.253277
H -2.940423 0.597848 -3.323294
H 4.898911 -1.305511 -0.262963
H -5.186105 1.007353 -2.218842
H -5.486262 0.639262 2.659690
H -5.722131 -1.040600 1.942311
H 1.001787 0.512984 4.510275
H -0.033192 1.650902 3.559467
H 1.640973 1.309968 3.036403
H 1.411205 3.714899 -0.702791
H 2.257980 4.697625 0.552733
H 1.181564 3.335068 1.048857
H 5.892206 2.161473 -1.530684
H 6.935348 2.469947 -0.088234
H 5.290081 3.223561 -0.196012


