%chk=000219002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219002

0 1
O -4.487246 0.985331 -1.865493
O -3.230430 -0.554651 -2.889039
O -0.958082 0.468920 0.593552
O 1.151252 -1.206945 -2.523344
O 7.021256 0.207872 -0.314868
N -0.738419 -0.627671 -1.404068
N 1.443297 -0.050066 -0.514439
C -3.016718 -0.268102 -0.437750
C -3.735819 0.788528 0.421756
C -4.733083 1.509240 -0.502951
C -3.375577 -1.712711 -0.037529
C -3.547474 -0.007694 -1.865359
C -1.489898 -0.088326 -0.354728
C -6.191179 1.239197 -0.199634
C -2.993050 -2.050073 1.374640
C 0.714948 -0.653119 -1.532004
C -3.587904 -3.015404 2.071568
C 2.879436 0.007637 -0.476633
C 3.459555 0.637991 0.638155
C 3.691680 -0.532721 -1.496550
C 4.849447 0.734306 0.744587
C 5.072039 -0.441032 -1.397305
C 5.642908 0.194168 -0.273364
C 7.722239 0.836251 0.784224
H -4.242621 0.324946 1.290323
H -3.012477 1.502025 0.871530
H -4.515981 2.593939 -0.611800
H -2.880194 -2.432319 -0.730483
H -4.465696 -1.871978 -0.192700
H -6.406449 0.167247 -0.101327
H -6.511327 1.732342 0.726357
H -6.834134 1.610555 -1.013146
H -2.175291 -1.457989 1.796345
H -1.221680 -1.056334 -2.224556
H -3.299676 -3.274835 3.081415
H -4.396754 -3.626573 1.697756
H 0.941083 0.390425 0.282265
H 2.836171 1.056748 1.427868
H 3.238383 -1.024258 -2.366727
H 5.288079 1.222988 1.608752
H 5.723385 -0.849025 -2.169448
H 7.467010 1.898082 0.841872
H 7.511035 0.312102 1.720472
H 8.770558 0.700484 0.486507


%chk=000219002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219002

0 1
O -4.387546 0.884913 -1.814931
O -3.376612 -0.913384 -2.878525
O -0.997692 0.317741 0.600717
O 1.068851 -1.386452 -2.688877
O 6.947914 0.492740 -0.266098
N -0.810847 -0.832281 -1.430070
N 1.340660 -0.198384 -0.654774
C -3.063351 -0.579311 -0.421150
C -3.847115 0.383472 0.496939
C -4.325151 1.522908 -0.433817
C -3.324065 -2.099756 -0.112081
C -3.601028 -0.258253 -1.839469
C -1.532533 -0.306724 -0.374111
C -5.694979 2.112861 -0.123775
C -2.870345 -2.510811 1.271547
C 0.625029 -0.828256 -1.647145
C -3.681318 -3.058751 2.210201
C 2.755255 -0.041892 -0.585664
C 3.277034 0.635599 0.544465
C 3.649708 -0.524772 -1.581688
C 4.665048 0.836862 0.693939
C 5.032211 -0.324186 -1.432396
C 5.550388 0.354016 -0.301531
C 7.525884 1.191729 0.882575
H -4.715121 -0.141663 0.933348
H -3.214695 0.760140 1.315955
H -3.559150 2.315861 -0.521295
H -2.807932 -2.703103 -0.884823
H -4.407156 -2.291765 -0.226753
H -6.466912 1.323926 -0.107930
H -5.672922 2.601736 0.867309
H -5.979805 2.867646 -0.875748
H -1.805811 -2.360534 1.505214
H -1.331924 -1.257613 -2.212189
H -3.299014 -3.360448 3.191474
H -4.748302 -3.233065 2.021131
H 0.768294 0.201551 0.112165
H 2.594146 1.010312 1.316894
H 3.253548 -1.046633 -2.454690
H 5.035198 1.362899 1.578681
H 5.733467 -0.688468 -2.189254
H 7.163685 2.236941 0.943316
H 7.300056 0.665783 1.831127
H 8.611552 1.186368 0.706489


