%chk=000189372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189372

0 1
O 4.148306 0.199022 -0.764031
N -2.285166 -0.510662 -0.085406
N -3.046976 -2.263415 1.138292
C -2.483671 2.027367 -0.057432
C -2.290481 0.717715 -0.893224
C -2.403819 3.203695 -1.049641
C -3.856646 2.027722 0.630007
C -1.370246 2.156604 0.990045
C -1.156108 -1.191506 0.408249
C -3.418409 -1.197876 0.389644
C 0.225475 -0.812024 0.134466
C -1.655545 -2.268056 1.157655
C 0.750936 -0.929039 -1.169259
C 1.044367 -0.357429 1.177052
C 2.068038 -0.579621 -1.430868
C 2.375275 -0.002171 0.937473
C 2.873628 -0.115184 -0.366925
C 5.099331 0.659431 0.251408
C 6.370635 0.877084 -0.544396
H -3.098627 0.641113 -1.655047
H -1.329651 0.785197 -1.455083
H -1.433586 3.247355 -1.555349
H -2.535190 4.161051 -0.531895
H -3.180882 3.147376 -1.818135
H -4.674368 1.884031 -0.082065
H -4.039584 2.976815 1.146798
H -3.929945 1.238419 1.388480
H -0.374211 2.109133 0.535285
H -1.440409 3.104132 1.533767
H -1.422833 1.351011 1.733197
H -4.431397 -0.907031 0.166015
H -1.101274 -3.024938 1.682432
H 0.117499 -1.308068 -1.972411
H 0.639990 -0.281401 2.187728
H 2.497329 -0.662594 -2.426768
H 2.994036 0.346295 1.756555
H 4.707521 1.589227 0.697528
H 5.201708 -0.129738 1.015832
H 7.188616 1.226702 0.095449
H 6.695582 -0.050327 -1.037620
H 6.220353 1.617485 -1.342801


%chk=000189372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189372

0 1
O 4.287660 0.262456 -0.816167
N -2.297743 -0.520503 -0.048966
N -2.980094 -2.207481 1.321150
C -2.656521 2.031567 -0.117190
C -2.411744 0.690146 -0.886902
C -2.670312 3.153378 -1.191208
C -4.018050 2.011339 0.622732
C -1.514886 2.294915 0.896501
C -1.122368 -1.107138 0.483610
C -3.376210 -1.224316 0.488993
C 0.262201 -0.719401 0.153721
C -1.581443 -2.133575 1.324624
C 0.718519 -0.580492 -1.190556
C 1.209160 -0.533058 1.193990
C 2.053636 -0.250012 -1.477173
C 2.557212 -0.213049 0.922764
C 2.982005 -0.061676 -0.421403
C 5.304440 0.438782 0.240944
C 6.620578 0.758343 -0.462501
H -3.244559 0.529520 -1.598549
H -1.484876 0.792412 -1.475328
H -1.702315 3.212547 -1.724315
H -2.854700 4.135227 -0.718205
H -3.467053 2.986748 -1.941731
H -4.856393 1.825560 -0.076530
H -4.198294 2.986184 1.112487
H -4.041441 1.233141 1.406142
H -0.528324 2.314947 0.397683
H -1.667949 3.269647 1.396077
H -1.483578 1.513682 1.676869
H -4.408521 -0.990246 0.239676
H -0.979524 -2.844054 1.887503
H 0.031781 -0.780487 -2.021200
H 0.878869 -0.630972 2.234185
H 2.406568 -0.153043 -2.508421
H 3.252867 -0.077301 1.755914
H 4.996319 1.265025 0.914491
H 5.381199 -0.493919 0.836948
H 7.424223 0.902994 0.282239
H 6.911347 -0.065284 -1.136501
H 6.527917 1.680346 -1.061397


