%chk=000199301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199301

0 1
O 5.360745 -0.635544 0.141108
N -0.793321 4.079819 -0.053839
C -1.041671 1.054432 0.170162
C -0.520456 1.948723 1.310752
C -1.144920 1.826053 -1.166493
C -0.275811 -0.249220 0.034284
C -1.164494 3.338571 1.192292
C -0.395435 3.165144 -1.175550
C -0.952295 -1.419076 -0.048719
C 1.201927 -0.280992 0.022197
C -0.235604 -2.744038 -0.098420
C 1.045303 -2.698416 0.744141
C 1.863407 -1.486978 0.392241
C 0.303171 5.062386 0.206231
C -2.427846 -1.525329 -0.103744
C 1.985790 0.808800 -0.368186
C 3.252437 -1.557854 0.426572
C 3.384420 0.760062 -0.355561
C 4.002105 -0.423605 0.055806
C -3.102215 -1.325031 -1.318434
C -3.154895 -1.848939 1.052834
C -4.492943 -1.448957 -1.372682
C -4.545454 -1.968810 0.991650
C -5.216378 -1.770195 -0.219607
C 6.239256 0.454597 -0.226979
H -2.101011 0.793776 0.454912
H 0.580696 2.034282 1.296837
H -0.765090 1.489888 2.285901
H -2.216647 2.012591 -1.381017
H -0.776439 1.199289 -2.000499
H -2.274924 3.240681 1.160018
H -0.935547 3.945982 2.090854
H 0.705165 2.956597 -1.183496
H -0.627423 3.715087 -2.115037
H -0.891590 -3.563596 0.255478
H 0.007568 -2.984730 -1.155352
H 1.624149 -3.632022 0.604197
H 0.790851 -2.658971 1.825540
H 0.522047 5.613961 -0.721571
H 1.239280 4.624775 0.581655
H -0.052802 5.803178 0.940222
H 1.504649 1.739205 -0.701314
H 3.774233 -2.464520 0.721940
H 3.957082 1.626197 -0.663156
H -2.538289 -1.072950 -2.214481
H -2.631781 -2.002333 1.994713
H -5.014345 -1.293998 -2.315778
H -5.108055 -2.217470 1.889888
H -6.299117 -1.864907 -0.264485
H 6.079828 1.310976 0.434202
H 6.097076 0.718391 -1.278784
H 7.229614 0.010138 -0.063343


%chk=000199301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199301

0 1
O 5.599137 -1.159453 0.061376
N -1.277432 3.895424 0.008803
C -0.707018 1.134863 0.060016
C -0.167612 1.996198 1.238739
C -0.597781 1.920764 -1.299788
C -0.095860 -0.273378 0.035290
C -0.924065 3.343780 1.345826
C -0.379924 3.433533 -1.069317
C -0.897607 -1.400917 0.062525
C 1.390559 -0.445806 0.031288
C -0.260075 -2.791079 0.142870
C 1.034028 -2.771620 0.974548
C 1.967087 -1.687942 0.466092
C -1.514103 5.344610 0.042764
C -2.389346 -1.385637 -0.050296
C 2.289949 0.571103 -0.387929
C 3.358705 -1.877414 0.458608
C 3.690141 0.387977 -0.400825
C 4.229530 -0.847534 0.025728
C -3.047775 -0.775137 -1.154518
C -3.194761 -2.052076 0.916899
C -4.453887 -0.813079 -1.278799
C -4.601065 -2.083284 0.800675
C -5.239186 -1.463596 -0.299634
C 6.536439 -0.123854 -0.376619
H -1.786476 1.012964 0.259314
H 0.914554 2.180123 1.125802
H -0.288654 1.439434 2.186698
H -1.547154 1.789057 -1.850285
H 0.203779 1.516378 -1.944841
H -1.860929 3.215221 1.925342
H -0.284403 4.063155 1.918549
H 0.700673 3.649930 -0.852674
H -0.628523 3.989302 -1.992925
H -0.980774 -3.511793 0.569251
H -0.042565 -3.148470 -0.887232
H 1.531624 -3.758272 0.955127
H 0.773505 -2.558095 2.033430
H -1.875243 5.693730 -0.941595
H -0.603974 5.941972 0.312442
H -2.295129 5.574745 0.791345
H 1.905135 1.533123 -0.734564
H 3.795997 -2.824708 0.791914
H 4.334846 1.202875 -0.742932
H -2.445416 -0.294593 -1.932966
H -2.713987 -2.526522 1.781028
H -4.935155 -0.340251 -2.142628
H -5.199114 -2.589224 1.567400
H -6.330488 -1.492483 -0.394294
H 6.462774 0.781367 0.257629
H 6.366370 0.152469 -1.435774
H 7.534651 -0.572779 -0.266781


