%chk=000206220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206220

0 1
O -0.885910 0.742725 0.489255
O -3.534081 -2.186217 -0.751508
N 3.000999 0.443226 0.392981
N 2.656808 -2.446696 0.977392
C 2.716676 0.751733 -1.048015
C 3.898337 1.484542 0.999401
C 4.030258 0.794750 -1.845114
C 5.231398 1.533843 0.234406
C 5.002835 1.822816 -1.254311
C 1.726012 0.343530 1.187702
C 0.869623 -0.798083 0.709845
C -0.474348 -0.585737 0.375503
C 1.356038 -2.132146 0.610121
C -1.348718 -1.602755 -0.041314
C 0.484008 -3.181989 0.188888
C -0.833551 -2.916059 -0.122047
C -2.750876 -1.330888 -0.383495
C -3.138558 0.096304 -0.243052
C -2.206792 1.052123 0.179716
C -4.446370 0.530251 -0.527608
C -2.525618 2.412829 0.327998
C -4.787398 1.873114 -0.388484
C -3.828285 2.808492 0.038175
H 2.161489 1.705671 -1.176475
H 2.062332 -0.055180 -1.445658
H 4.087031 1.200589 2.057099
H 3.433683 2.494158 1.011422
H 3.813275 1.031114 -2.902913
H 4.499503 -0.208562 -1.839992
H 5.759909 0.566985 0.349074
H 5.887137 2.302944 0.681656
H 5.963965 1.796945 -1.800040
H 4.601874 2.845607 -1.386712
H 1.138839 1.292156 1.174916
H 2.002702 0.160502 2.253216
H 0.863043 -4.198244 0.123983
H -1.510512 -3.716167 -0.443173
H 3.343881 -1.694387 1.027406
H 3.032959 -3.341729 0.709841
H -5.181454 -0.210930 -0.858358
H -1.768389 3.118100 0.660050
H -5.800437 2.203813 -0.609675
H -4.109215 3.857709 0.143497


%chk=000206220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206220

0 1
O -1.021074 0.816855 0.412687
O -3.689342 -2.288339 -0.562295
N 3.057607 0.480298 0.338310
N 2.701096 -2.229514 0.652686
C 2.948783 0.757465 -1.124368
C 3.963017 1.456603 1.008276
C 4.331407 0.693988 -1.802069
C 5.375281 1.417875 0.392166
C 5.320111 1.675348 -1.131440
C 1.713183 0.453576 1.006002
C 0.827041 -0.694432 0.545010
C -0.550259 -0.511548 0.300962
C 1.348730 -2.026815 0.443833
C -1.438448 -1.580075 -0.022600
C 0.469498 -3.117980 0.132752
C -0.887237 -2.891028 -0.090791
C -2.871844 -1.351085 -0.269389
C -3.311556 0.066719 -0.149145
C -2.382791 1.086704 0.185119
C -4.666524 0.434313 -0.359872
C -2.775158 2.437090 0.310099
C -5.075621 1.773453 -0.240485
C -4.124938 2.775475 0.095954
H 2.495668 1.766622 -1.292811
H 2.263205 0.012099 -1.565794
H 4.006377 1.204943 2.084826
H 3.550020 2.494174 0.924753
H 4.219931 0.925783 -2.878328
H 4.723388 -0.339660 -1.726749
H 5.824210 0.423306 0.584132
H 6.012782 2.170865 0.893554
H 6.327726 1.578275 -1.577538
H 4.984336 2.716960 -1.315339
H 1.177799 1.417017 0.869605
H 1.909732 0.337097 2.092312
H 0.882185 -4.131484 0.067796
H -1.573772 -3.709045 -0.332785
H 3.290038 -1.368276 0.626037
H 3.096481 -3.163492 0.569762
H -5.367432 -0.367306 -0.615789
H -2.025920 3.190404 0.570758
H -6.122829 2.047403 -0.404719
H -4.440787 3.820170 0.190515


