%chk=000211326.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211326

0 1
O 2.039235 -0.160579 0.595847
O -1.221259 0.571653 1.922451
O 1.194949 1.618787 1.731676
N 2.453127 2.034931 -1.232938
N -0.545969 0.012562 -2.787863
C -0.350138 -0.130514 1.022193
C -0.332065 -1.575115 1.490289
C -0.893436 -0.000178 -0.386788
C 1.031744 0.564947 1.161361
C 3.515296 1.021180 -0.934585
C 3.351254 0.481975 0.490664
C 0.492416 -2.510092 0.847552
C -1.155610 -1.978153 2.549507
C -2.272928 0.159846 -0.575935
C -0.063047 -0.068981 -1.523298
C 0.488051 -3.843028 1.263749
C -1.155035 -3.313836 2.962454
C -0.336038 -4.246969 2.320213
C -2.780053 0.249231 -1.874458
C 2.370758 2.280665 -2.703275
C 2.691962 3.308810 -0.494315
C -1.886621 0.169281 -2.954346
H 4.551030 1.407333 -1.057875
H 3.402231 0.178719 -1.655623
H 3.442722 1.264633 1.266270
H 4.036585 -0.357636 0.702007
H 1.144746 -2.193110 0.031286
H -1.792758 -1.243958 3.050121
H -2.935143 0.214153 0.292906
H 1.028995 -0.180332 -1.425257
H -0.996247 1.539831 1.949507
H 1.127500 -4.568436 0.764028
H -1.794910 -3.624886 3.786423
H -0.338032 -5.286938 2.641781
H -3.845917 0.374858 -2.046358
H 1.570353 3.013681 -2.898419
H 2.061885 1.348041 -3.208335
H 3.295572 2.647682 -3.168417
H 1.929873 4.048636 -0.786936
H 3.682758 3.757728 -0.643268
H 2.539378 3.118956 0.586124
H -2.237313 0.230119 -3.990720


%chk=000211326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211326

0 1
O 1.897742 -0.259139 0.223949
O -1.272702 0.793672 1.732694
O 1.321923 1.353661 1.808119
N 2.695273 2.266337 -1.218711
N -0.950192 0.944821 -2.747245
C -0.445216 -0.115103 0.927353
C -0.481747 -1.536983 1.540894
C -0.983858 -0.070313 -0.512216
C 1.015835 0.418170 1.025114
C 3.498142 1.029754 -1.147120
C 3.304199 0.243516 0.156320
C 0.097325 -2.636893 0.857932
C -1.097136 -1.744889 2.796694
C -2.116003 -0.839274 -0.871301
C -0.445712 0.812023 -1.483405
C 0.066674 -3.925748 1.431749
C -1.126699 -3.037202 3.370118
C -0.543961 -4.131344 2.692035
C -2.656555 -0.705805 -2.167832
C 2.543075 2.752483 -2.610169
C 3.152542 3.326161 -0.293721
C -2.042702 0.190754 -3.071477
H 4.599103 1.223924 -1.254249
H 3.202381 0.378879 -1.990417
H 3.509798 0.842742 1.058995
H 3.926307 -0.666264 0.155019
H 0.574615 -2.481437 -0.115125
H -1.561286 -0.891716 3.299158
H -2.565722 -1.526360 -0.146950
H 0.434516 1.431500 -1.259235
H -0.649913 1.454426 2.153318
H 0.516944 -4.769383 0.896378
H -1.608346 -3.187381 4.343006
H -0.567163 -5.132719 3.136730
H -3.534618 -1.282831 -2.474883
H 1.883735 3.637553 -2.617377
H 2.060615 1.975669 -3.228940
H 3.513275 3.038988 -3.086229
H 2.498445 4.208177 -0.403855
H 4.206479 3.647911 -0.487931
H 3.068403 2.986030 0.752005
H -2.427917 0.319129 -4.089789


