%chk=000211008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211008

0 1
O 0.296154 1.046419 -0.820791
O -0.413465 -2.428612 -0.475521
O 0.530926 -1.376624 -2.235605
N -4.628075 0.817054 0.364433
C 0.263733 -0.181554 -0.061369
C 1.673359 1.604752 -0.883096
C 1.615747 -0.265466 0.618955
C 2.438360 0.778095 0.137856
C -0.937554 -0.111298 0.884672
C -2.232679 0.224726 0.137618
C 1.514548 3.065052 -0.491792
C 2.166211 1.390350 -2.304154
C 0.162485 -1.334184 -1.090164
C 2.078080 -1.170076 1.560559
C 3.735235 0.924942 0.601853
C -3.412591 0.354344 1.114623
C 3.394222 -1.019080 2.033956
C 4.208526 0.011383 1.562036
C -5.655592 1.338233 1.316180
C -5.206953 -0.285452 -0.459829
C -0.548352 -3.631898 -1.276885
H -1.036787 -1.079751 1.417475
H -0.734172 0.661230 1.654358
H -2.105437 1.173378 -0.429903
H -2.446010 -0.549492 -0.624992
H 2.433778 3.633433 -0.662742
H 0.709866 3.532868 -1.077757
H 1.233199 3.170993 0.563371
H 3.234957 1.592136 -2.409071
H 1.977330 0.348955 -2.625234
H 1.621878 2.022978 -3.016097
H 1.445444 -1.978991 1.921685
H 4.375666 1.724025 0.236134
H -3.572164 -0.602195 1.655486
H -3.168133 1.119170 1.884363
H 3.778110 -1.718100 2.775594
H 5.225971 0.113055 1.938185
H -5.239040 2.206885 1.850793
H -6.015706 0.610844 2.057394
H -6.522068 1.703068 0.741438
H -4.447224 -0.630821 -1.180536
H -6.048966 0.113490 -1.047431
H -5.561930 -1.155191 0.110936
H 0.443647 -4.063696 -1.439111
H -1.027225 -3.395010 -2.232890
H -1.177811 -4.270867 -0.650080


%chk=000211008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211008

0 1
O 0.337955 1.119168 -0.924856
O -0.376413 -2.458380 -0.413009
O 0.394799 -1.360531 -2.313928
N -4.763525 0.786327 0.445903
C 0.229233 -0.123967 -0.136020
C 1.760159 1.635694 -0.940138
C 1.578164 -0.238653 0.576687
C 2.448608 0.769517 0.108645
C -0.980885 0.005569 0.820313
C -2.315706 0.249665 0.084597
C 1.687036 3.123802 -0.549207
C 2.341696 1.438151 -2.356365
C 0.091705 -1.333420 -1.105134
C 1.992223 -1.168446 1.549116
C 3.758489 0.869035 0.616107
C -3.478253 0.411180 1.084281
C 3.306297 -1.066268 2.065643
C 4.183268 -0.054848 1.601734
C -5.764588 1.210048 1.446259
C -5.299995 -0.259183 -0.448086
C -0.466831 -3.705162 -1.213114
H -1.046605 -0.912435 1.434218
H -0.762754 0.852576 1.498796
H -2.239323 1.161672 -0.533459
H -2.512131 -0.599806 -0.598225
H 2.692509 3.583392 -0.573091
H 1.040436 3.663947 -1.262278
H 1.266938 3.240359 0.464130
H 3.398469 1.763406 -2.391979
H 2.274636 0.379382 -2.654083
H 1.763635 2.036175 -3.082214
H 1.313687 -1.956735 1.892330
H 4.440891 1.649006 0.259398
H -3.580084 -0.532862 1.687600
H -3.218172 1.218355 1.797622
H 3.649239 -1.775450 2.827145
H 5.198531 0.011460 2.008624
H -5.363479 2.049879 2.041610
H -6.060189 0.393683 2.155893
H -6.678411 1.560867 0.933449
H -4.594510 -0.460257 -1.271212
H -6.246636 0.092504 -0.895992
H -5.505267 -1.226995 0.080831
H 0.531689 -3.992016 -1.583857
H -1.142763 -3.558184 -2.072015
H -0.864275 -4.457720 -0.517765


