%chk=000198988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198988

0 1
O -5.069387 0.770100 1.508785
O -5.985063 1.253425 -0.627024
N -0.237335 -1.120042 0.528387
N 2.361521 -0.090023 1.341242
N 3.763663 1.097824 -0.193058
N 4.386615 -1.135610 0.599728
C 0.267533 0.186866 -0.010053
C 0.904853 -2.057564 0.796217
C 1.230173 0.825235 1.010613
C 1.863298 -1.412717 1.818288
C -1.209683 -1.752512 -0.425070
C -2.469982 -0.925105 -0.526471
C 3.508528 -0.058280 0.535252
C -3.099412 -0.488195 0.670054
C -3.008807 -0.634220 -1.780719
C -4.261681 0.228898 0.515930
C -4.812004 0.520072 -0.768531
C -4.207646 0.102053 -1.931467
C 4.964327 1.192952 -0.822403
C -6.178668 1.429469 0.814445
C 5.570877 -0.998637 -0.043321
C 5.913198 0.150333 -0.765480
C 5.232236 2.446589 -1.584746
H 0.770152 0.089879 -0.996256
H -0.608171 0.858111 -0.157119
H 0.490587 -2.994409 1.227576
H 1.466973 -2.340019 -0.120182
H 1.613741 1.797342 0.624954
H 0.697131 1.038492 1.966026
H 1.335121 -1.230095 2.782817
H 2.715188 -2.097274 2.034557
H -1.484381 -2.755735 -0.017561
H -0.772555 -1.933940 -1.432363
H -2.661586 -0.705610 1.643525
H -2.505118 -0.977183 -2.683511
H -4.620163 0.321216 -2.911419
H -6.122046 2.503615 1.033585
H -7.106026 0.913738 1.095671
H 6.254491 -1.854485 0.028770
H 6.868638 0.236302 -1.266492
H 6.097318 2.984045 -1.168740
H 5.448508 2.234103 -2.641363
H 4.375647 3.140897 -1.557476


%chk=000198988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198988

0 1
O -4.829491 1.200784 1.669797
O -6.255890 1.236189 -0.266025
N -0.322048 -1.234488 0.181181
N 2.331165 -0.273528 0.683044
N 3.984916 1.132721 -0.243528
N 4.570416 -1.017986 0.787550
C 0.192908 -0.037442 -0.532523
C 0.777091 -2.184053 0.486190
C 1.264888 0.675356 0.313704
C 1.856958 -1.500618 1.348348
C -1.455265 -1.881219 -0.521229
C -2.723658 -1.032167 -0.517994
C 3.663197 -0.048406 0.401765
C -3.080293 -0.310180 0.659851
C -3.565619 -0.999408 -1.655467
C -4.274652 0.407567 0.631581
C -5.113790 0.428959 -0.503676
C -4.786672 -0.267069 -1.668170
C 5.299871 1.362047 -0.514169
C -6.105123 1.737912 1.126798
C 5.873367 -0.754355 0.502133
C 6.303568 0.422640 -0.147672
C 5.642718 2.656486 -1.218703
H 0.632778 -0.315222 -1.524165
H -0.648125 0.654499 -0.715690
H 0.360085 -3.043881 1.043414
H 1.255647 -2.576914 -0.446978
H 1.721436 1.508850 -0.240514
H 0.792522 1.067471 1.237424
H 1.416968 -1.233359 2.330802
H 2.721163 -2.162944 1.506456
H -1.654940 -2.837119 0.005026
H -1.199618 -2.149235 -1.578186
H -2.418603 -0.321636 1.529691
H -3.271798 -1.551944 -2.555312
H -5.434472 -0.242414 -2.547994
H -6.051946 2.840284 1.106884
H -6.943547 1.359811 1.737534
H 6.590174 -1.525032 0.809476
H 7.359878 0.603086 -0.360879
H 6.296220 3.287869 -0.588084
H 6.186760 2.462820 -2.161661
H 4.721461 3.215169 -1.444429


