%chk=000218938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218938

0 1
O 0.473763 -2.394945 -1.602349
O -0.974788 2.105240 -0.185043
N -0.354696 -0.340831 -0.919546
C 1.894331 -0.471298 -1.894363
C -1.630923 -0.704193 -0.431389
C 2.663788 0.068518 -0.720742
C -2.476732 0.297577 0.126179
C 0.631465 -1.200523 -1.463258
C -2.079530 -2.047400 -0.500166
C -3.752916 -0.095921 0.588864
C 2.352326 1.328985 -0.188073
C 3.700109 -0.690857 -0.158140
C -2.059327 1.711965 0.232277
C -3.335842 -2.389984 -0.033994
C -4.185068 -1.409961 0.514684
C 3.081923 1.826736 0.894261
C 4.425755 -0.186042 0.924574
C 4.120640 1.072926 1.450788
C -2.986715 2.704625 0.872116
H 1.651986 0.338782 -2.616192
H 2.519068 -1.188152 -2.477335
H -0.096819 0.675635 -0.810879
H -1.421648 -2.817257 -0.924901
H -4.421983 0.652930 1.017545
H 1.534750 1.922615 -0.603879
H 3.937456 -1.675375 -0.558630
H -3.674302 -3.426416 -0.090527
H -5.171199 -1.690122 0.876442
H 2.836771 2.805206 1.305847
H 5.230007 -0.777735 1.359497
H 4.687646 1.464271 2.292971
H -3.216054 2.442955 1.913697
H -3.935919 2.794135 0.327478
H -2.529122 3.707611 0.885890


%chk=000218938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218938

0 1
O 0.609843 -2.323280 -1.624063
O -1.097039 2.161390 -0.392261
N -0.409974 -0.298049 -0.965413
C 1.844047 -0.216159 -1.927968
C -1.639457 -0.723723 -0.432777
C 2.704682 0.176684 -0.727606
C -2.545764 0.278639 0.090493
C 0.627733 -1.063074 -1.503678
C -2.015440 -2.097124 -0.395679
C -3.794022 -0.152391 0.628085
C 2.577847 1.454700 -0.125696
C 3.625087 -0.752674 -0.178656
C -2.208842 1.725423 0.083832
C -3.256831 -2.475139 0.144536
C -4.156559 -1.507640 0.660132
C 3.360091 1.798838 1.000060
C 4.406459 -0.410044 0.947128
C 4.277432 0.868004 1.539744
C -3.190187 2.741073 0.654475
H 1.499164 0.688737 -2.461380
H 2.420846 -0.836832 -2.632903
H -0.289333 0.737188 -0.902505
H -1.319160 -2.837388 -0.793699
H -4.487910 0.593113 1.027781
H 1.867647 2.183908 -0.535552
H 3.722158 -1.745871 -0.632960
H -3.527020 -3.536916 0.164434
H -5.120754 -1.813294 1.078195
H 3.254118 2.791150 1.452812
H 5.115253 -1.136846 1.359988
H 4.885852 1.135417 2.411059
H -3.391502 2.548711 1.724143
H -4.158259 2.712666 0.121966
H -2.752008 3.744502 0.547637


