%chk=000115721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115721

0 1
O -0.601374 1.192637 -0.380578
O 0.468857 1.410996 1.598145
N -3.903490 -0.962459 -0.711776
C -3.224373 -1.321916 0.585957
C -4.252181 0.484980 -0.475970
C -4.053122 -0.623653 1.706152
C -4.733070 0.570519 1.004131
C -1.803157 -0.727245 0.487106
C -2.936912 1.268221 -0.684782
C -1.855818 0.794030 0.294985
C -5.090527 -1.810588 -1.006986
C 0.500760 1.452434 0.389385
C 1.650239 1.814698 -0.515736
C 2.805109 0.864935 -0.356335
C 3.353936 0.624735 0.913343
C 3.354861 0.232070 -1.479463
C 4.443287 -0.233434 1.055561
C 4.447653 -0.625935 -1.336183
C 5.000710 -0.865331 -0.068899
C 6.179150 -1.771529 0.082601
H -3.171991 -2.420354 0.729989
H -5.025923 0.840870 -1.186459
H -3.416180 -0.300642 2.543393
H -4.796094 -1.315179 2.131477
H -5.829772 0.498098 1.062817
H -4.460931 1.529518 1.468789
H -1.207819 -0.981375 1.382152
H -1.276988 -1.183857 -0.378480
H -2.575859 1.105625 -1.724189
H -3.106177 2.352986 -0.582687
H -1.899460 1.331244 1.266292
H -4.754199 -2.849891 -1.154043
H -5.535865 -1.477959 -1.958577
H -5.873923 -1.804924 -0.235448
H 1.980823 2.851088 -0.272538
H 1.301251 1.851828 -1.573345
H 2.911980 1.101668 1.792338
H 2.932316 0.403439 -2.468144
H 4.860915 -0.414064 2.044280
H 4.868805 -1.111073 -2.214327
H 6.187831 -2.283946 1.053929
H 6.208589 -2.551149 -0.690006
H 7.118035 -1.203014 0.007030


%chk=000115721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115721

0 1
O -0.509694 1.371086 -0.439675
O 0.297814 1.716776 1.725867
N -3.815558 -1.127520 -0.674110
C -3.064450 -1.298474 0.613186
C -4.170576 0.328292 -0.616387
C -3.917828 -0.528458 1.690257
C -4.666249 0.569442 0.859138
C -1.662751 -0.664518 0.418327
C -2.884841 1.132551 -0.940582
C -1.804326 0.841687 0.113911
C -4.984968 -2.026553 -0.811113
C 0.463066 1.750853 0.482757
C 1.743233 2.184239 -0.225145
C 2.802157 1.080219 -0.187043
C 3.365845 0.660299 1.044639
C 3.236639 0.451838 -1.378617
C 4.344003 -0.355858 1.076370
C 4.218161 -0.564595 -1.342015
C 4.792891 -0.983099 -0.115566
C 5.872385 -2.051634 -0.077724
H -2.955844 -2.371601 0.847492
H -4.947678 0.557537 -1.366036
H -3.281309 -0.097632 2.483358
H -4.633754 -1.212334 2.179568
H -5.760949 0.439533 0.925729
H -4.436018 1.592211 1.207783
H -1.037562 -0.809259 1.317961
H -1.172548 -1.162171 -0.437527
H -2.518164 0.818937 -1.933917
H -3.099238 2.217052 -0.975272
H -1.998986 1.395355 1.051169
H -4.633188 -3.073464 -0.831899
H -5.487252 -1.821466 -1.773361
H -5.747325 -1.937067 0.000262
H 2.116270 3.081903 0.300777
H 1.507048 2.455019 -1.266298
H 3.022614 1.122168 1.977755
H 2.802324 0.753899 -2.339306
H 4.766439 -0.668289 2.039559
H 4.539923 -1.038951 -2.277429
H 5.816087 -2.651304 0.848156
H 5.791534 -2.740942 -0.936669
H 6.882526 -1.598606 -0.113429


