%chk=000231479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231479

0 1
O 3.619718 -0.170105 -0.554362
N -1.906344 0.313961 0.264196
N -4.722737 -0.174208 -0.155780
C -2.609232 0.867683 -0.942201
C -2.530630 -0.985719 0.685081
C -4.090276 1.110958 -0.589323
C -4.011860 -0.738246 1.034234
C -0.474386 0.165227 0.025624
C 0.368241 0.924315 0.849545
C 0.074389 -0.679094 -0.962601
C 1.757214 0.852520 0.700619
C 1.450177 -0.762730 -1.124380
C 2.283565 0.009450 -0.285154
C 4.592125 0.574733 0.247185
C 5.923092 0.128663 -0.325647
H -2.541726 0.197633 -1.826582
H -2.123022 1.828687 -1.213066
H -1.988056 -1.354000 1.581341
H -2.458149 -1.772633 -0.096694
H -4.159961 1.910172 0.180816
H -4.631697 1.467598 -1.491711
H -4.497201 -1.703798 1.292669
H -4.075538 -0.081211 1.929199
H -5.704062 -0.000080 0.089947
H -0.066762 1.574257 1.610878
H -0.582833 -1.268213 -1.601841
H 2.395970 1.445462 1.345157
H 1.900869 -1.404817 -1.877533
H 4.405669 1.653245 0.107805
H 4.463721 0.288932 1.305112
H 6.761939 0.613192 0.185770
H 6.049792 -0.959616 -0.236588
H 5.993491 0.362982 -1.397315


%chk=000231479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231479

0 1
O 3.720617 0.153942 -0.773607
N -1.933345 0.162026 -0.021929
N -4.774363 -0.156739 0.197832
C -2.787033 0.176341 -1.227896
C -2.536227 -0.600138 1.101667
C -4.203919 0.674897 -0.882144
C -3.949308 -0.080588 1.422104
C -0.518032 0.126345 -0.189271
C 0.353382 0.266678 0.928549
C 0.090261 -0.005505 -1.475582
C 1.756186 0.273026 0.781473
C 1.488845 0.017412 -1.629741
C 2.335440 0.152569 -0.506094
C 4.631072 0.297888 0.373946
C 6.053069 0.261823 -0.181275
H -2.862827 -0.837081 -1.688632
H -2.347793 0.865293 -1.970591
H -1.902487 -0.508066 1.997560
H -2.607478 -1.681375 0.839876
H -4.130617 1.754401 -0.598316
H -4.843180 0.594768 -1.780363
H -4.400571 -0.716198 2.205768
H -3.860826 0.961588 1.818360
H -5.767914 0.039758 0.371045
H -0.061963 0.402464 1.932467
H -0.524746 -0.146927 -2.368703
H 2.378921 0.387262 1.674216
H 1.943963 -0.085050 -2.620165
H 4.427570 1.258031 0.893612
H 4.460145 -0.531623 1.092438
H 6.786430 0.363332 0.639544
H 6.240994 -0.691506 -0.704200
H 6.211231 1.086151 -0.897548


