%chk=000216570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216570

0 1
O 2.765644 0.169568 -0.141950
O 1.106404 -0.478359 -2.467268
O 1.081387 -0.107775 2.350847
O 0.735318 -4.134623 0.230718
O 2.948909 2.186885 0.921603
O -5.682469 0.057476 1.181853
O -5.694810 -0.289981 -0.953308
N 0.919537 -2.269797 -1.111047
N 0.915280 -2.095585 1.290057
N -5.138398 0.008188 0.090937
C 1.339848 0.003929 -0.075123
C 0.494373 1.306207 -0.123623
C -0.979741 0.950988 -0.089424
C 0.838536 2.205236 -1.307612
C 1.115802 -0.881453 -1.329702
C 1.099643 -0.691607 1.294016
C -1.658023 0.987368 1.140672
C -1.672192 0.595364 -1.257567
C 0.854628 -2.935082 0.143768
C 3.482258 1.254084 0.396935
C -3.016414 0.682165 1.206704
C -3.030955 0.287685 -1.205343
C -3.695834 0.332820 0.029476
C 4.927493 0.921680 0.151584
C 5.658389 2.131366 -0.413230
H 0.755587 1.886447 0.816844
H 0.864253 1.665521 -2.266512
H 1.820551 2.678486 -1.175252
H 0.106518 3.017894 -1.408054
H -1.119720 1.255675 2.055570
H -1.148883 0.566632 -2.218347
H 0.827618 -2.871405 -1.949641
H 0.813244 -2.565468 2.207347
H -3.555989 0.711858 2.160460
H -3.582488 0.013589 -2.112099
H 5.380284 0.599571 1.117563
H 5.024167 0.046905 -0.532619
H 5.543223 3.016077 0.230414
H 6.734556 1.931139 -0.503492
H 5.293467 2.402333 -1.412851


%chk=000216570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216570

0 1
O 2.690125 0.106835 -0.477180
O 0.512255 -0.890527 -2.408468
O 0.874352 0.058101 2.293715
O 1.914221 -4.135833 0.600012
O 3.032544 1.905113 1.008123
O -5.921807 0.392358 1.290939
O -6.036484 -0.000548 -0.952746
N 1.236279 -2.463968 -0.884579
N 1.510356 -1.983158 1.415403
N -5.381449 0.289378 0.122247
C 1.211170 -0.070020 -0.169766
C 0.369344 1.240976 -0.303048
C -1.140421 0.945767 -0.214344
C 0.746208 2.084986 -1.544814
C 0.914838 -1.148817 -1.249773
C 1.151437 -0.630685 1.284991
C -1.795163 1.053138 1.043821
C -1.918645 0.626597 -1.361150
C 1.595416 -2.942066 0.389564
C 3.478617 1.103374 0.171818
C -3.181778 0.840034 1.166010
C -3.305679 0.410353 -1.258910
C -3.919589 0.516944 0.007558
C 4.903220 0.994451 -0.345759
C 5.837162 2.052390 0.268468
H 0.633573 1.827624 0.594474
H 0.627754 1.528670 -2.486369
H 1.790713 2.432843 -1.478736
H 0.102605 2.981267 -1.575742
H -1.206280 1.304396 1.931527
H -1.435841 0.542274 -2.337858
H 1.197280 -3.171381 -1.626296
H 1.633479 -2.342617 2.368167
H -3.694656 0.922660 2.127605
H -3.914260 0.164657 -2.132969
H 5.262402 -0.031185 -0.134672
H 4.870085 1.074590 -1.449185
H 5.881567 1.955392 1.366347
H 6.857709 1.933972 -0.134743
H 5.488345 3.073662 0.039625


