%chk=000203104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203104

0 1
O 1.608842 0.463086 -0.086656
O 3.440011 -1.699131 0.496109
O -0.662137 -1.970140 1.221974
O -2.192214 0.602106 -0.144376
O -3.299835 -1.192247 0.766057
N -4.186279 0.030959 -1.026118
C 1.214718 -0.703937 0.702888
C -0.289697 -0.864222 0.393624
C 2.022135 -1.933576 0.279353
C -1.074166 0.403291 0.763672
C 2.980353 0.585325 -0.257650
C 3.873653 -0.476561 0.010405
C 3.450633 1.811448 -0.732768
C 5.248509 -0.309513 -0.173015
C 4.828192 1.968184 -0.922716
C 5.715780 0.924280 -0.638807
C -5.565598 -0.511195 -0.913512
C -3.264886 -0.272695 -0.033744
C -6.511512 0.412411 -0.132234
C -6.843427 1.698292 -0.880689
H 1.396551 -0.450313 1.771509
H -0.467064 -1.132763 -0.674244
H 1.879084 -2.193079 -0.783886
H 1.815612 -2.811029 0.923699
H -0.490134 1.329718 0.572219
H -1.446840 0.375357 1.802718
H -1.661775 -2.061183 1.250577
H 2.750972 2.616601 -0.944360
H 5.927037 -1.131598 0.045366
H 5.210686 2.918032 -1.293018
H 6.785239 1.068569 -0.785316
H -5.519067 -1.513861 -0.422521
H -5.936378 -0.674701 -1.951438
H -7.446625 -0.143832 0.087648
H -6.074986 0.651209 0.859285
H -4.086104 0.917524 -1.523420
H -5.962171 2.334282 -1.019157
H -7.582594 2.293793 -0.329299
H -7.266719 1.496807 -1.871860


%chk=000203104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203104

0 1
O 1.766640 0.474830 -0.342116
O 3.451823 -1.676944 0.692945
O -0.716080 -1.895816 0.968446
O -2.243583 0.681999 -0.438530
O -3.281063 -1.161662 0.615275
N -4.416916 0.217734 -0.901229
C 1.232678 -0.605151 0.529298
C -0.250037 -0.778958 0.155428
C 2.037666 -1.891050 0.311183
C -1.026263 0.529187 0.412095
C 3.180066 0.557187 -0.349480
C 3.998209 -0.485868 0.166921
C 3.770468 1.718779 -0.886540
C 5.400734 -0.341344 0.168897
C 5.175759 1.854337 -0.895382
C 5.990538 0.827989 -0.357520
C -5.700984 -0.504084 -0.849980
C -3.325463 -0.168352 -0.174379
C -6.780920 0.221612 -0.013057
C -7.175742 1.603267 -0.577401
H 1.330565 -0.287416 1.587455
H -0.313140 -1.007096 -0.932591
H 1.987795 -2.197616 -0.752651
H 1.660687 -2.695936 0.956059
H -0.416987 1.396975 0.118234
H -1.317012 0.594556 1.478011
H -1.723121 -1.853609 0.978648
H 3.117140 2.502763 -1.282904
H 6.006485 -1.156495 0.577144
H 5.630090 2.758469 -1.313637
H 7.080372 0.933245 -0.354355
H -5.492117 -1.497472 -0.418200
H -6.062991 -0.648511 -1.886674
H -7.673110 -0.434258 0.022680
H -6.418330 0.324121 1.027300
H -4.323140 1.059168 -1.471484
H -6.320266 2.304670 -0.569132
H -7.979426 2.061727 0.025753
H -7.543224 1.520722 -1.618230


