%chk=000296503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296503

0 1
O 4.238759 -0.269113 0.469959
O 2.901687 2.358751 0.681578
O 2.387952 -2.534759 0.036799
N -4.145199 0.927167 -0.776121
C 0.086774 0.237669 -0.079677
C 2.864930 -0.104290 0.307807
C 2.271639 1.176099 0.403261
C 2.021632 -1.216873 0.088627
C 0.892238 1.350039 0.192739
C 0.639706 -1.047136 -0.115810
C -1.353926 0.441890 -0.321212
C -2.308774 -0.288075 0.273331
C -3.750949 -0.090298 0.047724
C -4.689061 -0.940555 0.675938
C 4.960000 -0.171539 -0.793503
C 4.251939 2.331019 1.213839
C 3.708059 -2.919537 0.501818
C -6.050073 -0.734042 0.446729
C -6.458303 0.304759 -0.394886
C -5.472041 1.111654 -0.985847
H 0.470639 2.351198 0.257668
H 0.023561 -1.922890 -0.306415
H -1.601510 1.250729 -1.022303
H -2.056429 -1.084240 0.980005
H -4.353775 -1.743396 1.327587
H 4.809621 0.816456 -1.237616
H 4.627845 -0.956938 -1.478122
H 5.998122 -0.320157 -0.481775
H 4.956178 2.250223 0.381936
H 4.385512 1.505662 1.921613
H 4.319418 3.306744 1.709167
H 3.997842 -2.352716 1.393446
H 4.425284 -2.766188 -0.308593
H 3.568126 -3.983929 0.723532
H -6.789572 -1.378982 0.921471
H -7.511251 0.486620 -0.589213
H -5.738798 1.939673 -1.653481


%chk=000296503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296503

0 1
O 4.378405 -0.393809 0.035901
O 3.231530 2.259982 -0.111562
O 2.571911 -2.643368 0.191346
N -4.094949 1.146018 -0.098919
C 0.138650 0.168081 0.030337
C 2.978435 -0.192990 0.071787
C 2.412592 1.112061 0.007855
C 2.103675 -1.316151 0.172619
C 1.016932 1.286394 -0.025244
C 0.707879 -1.130960 0.149717
C -1.308327 0.413223 -0.016037
C -2.307215 -0.523606 0.008071
C -3.737029 -0.186389 -0.039297
C -4.721134 -1.217349 -0.021444
C 4.993262 -0.070476 -1.277575
C 4.127329 2.512174 1.041034
C 3.556961 -2.991154 1.239295
C -6.088766 -0.877442 -0.063585
C -6.453456 0.487417 -0.123441
C -5.417110 1.453982 -0.139248
H 0.621880 2.305232 -0.095296
H 0.082825 -2.026260 0.214244
H -1.631090 1.461461 -0.077472
H -2.073395 -1.595103 0.063400
H -4.405851 -2.265749 0.024826
H 4.806489 0.986052 -1.540076
H 4.583563 -0.737025 -2.058266
H 6.071215 -0.253110 -1.149964
H 4.800149 1.653567 1.214699
H 3.528227 2.712440 1.949616
H 4.705629 3.408353 0.769279
H 3.104671 -2.865570 2.242248
H 4.463071 -2.369846 1.149488
H 3.793209 -4.052345 1.067306
H -6.855119 -1.659893 -0.050181
H -7.501886 0.799167 -0.157274
H -5.655362 2.523689 -0.186186


