%chk=000295638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295638

0 1
O -5.580019 1.869974 0.244689
N -0.245135 -1.653031 0.151656
N 2.055919 1.294883 -0.534645
C 0.028762 -0.304978 -0.468356
C 1.476333 0.033144 -0.278019
C -0.905578 0.694373 0.247052
C 0.803585 -2.674695 -0.181959
C 2.462885 -0.859891 0.120030
C 2.148679 -2.268731 0.460024
C -1.605543 -2.141512 -0.247895
C -2.341323 0.277472 0.112292
C -2.668495 -1.078793 -0.112802
C 3.717026 -0.154424 0.133979
C 3.435002 1.196343 -0.276680
C -3.351840 1.232567 0.226090
C -4.011794 -1.455610 -0.218295
C 5.041214 -0.510492 0.445927
C 4.447562 2.171451 -0.375258
C -4.693693 0.821903 0.114315
C -5.040900 -0.515168 -0.109368
C 6.032491 0.451664 0.347167
C 5.736602 1.778815 -0.059437
C -6.994341 1.572724 0.165135
H -0.196377 -0.296209 -1.570827
H -0.746379 1.717952 -0.136946
H -0.645300 0.724090 1.332052
H 0.938268 -2.813641 -1.276104
H 0.477514 -3.650226 0.237840
H 2.950203 -2.953941 0.124218
H 2.083721 -2.372986 1.565878
H -1.844580 -2.987356 0.441312
H -1.631613 -2.546704 -1.286217
H 1.567353 2.119064 -0.818013
H -3.131205 2.281738 0.404686
H -4.270857 -2.501170 -0.387531
H 5.267462 -1.526775 0.759130
H 4.219006 3.184734 -0.685362
H -6.073803 -0.830341 -0.194631
H 7.063376 0.198512 0.584243
H 6.552136 2.498221 -0.120379
H -7.286269 0.893755 0.971368
H -7.243035 1.168480 -0.820067
H -7.440621 2.565713 0.307012


%chk=000295638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295638

0 1
O -5.651145 1.915983 0.301357
N -0.241582 -1.654644 0.072521
N 2.098912 1.240172 -0.601809
C 0.052259 -0.320249 -0.526972
C 1.512643 -0.009624 -0.333018
C -0.875028 0.720541 0.150481
C 0.800374 -2.682776 -0.184831
C 2.484722 -0.887343 0.134692
C 2.140497 -2.310590 0.489310
C -1.586208 -2.127560 -0.321692
C -2.334173 0.298389 0.068026
C -2.666910 -1.070123 -0.132967
C 3.738657 -0.160704 0.172285
C 3.466674 1.176739 -0.298123
C -3.362563 1.254950 0.204655
C -4.029209 -1.438635 -0.187942
C 5.065125 -0.497652 0.548989
C 4.472020 2.161558 -0.396032
C -4.722012 0.870544 0.150942
C -5.065337 -0.489888 -0.046404
C 6.073503 0.482567 0.453676
C 5.780718 1.797789 -0.012973
C -7.071247 1.565184 0.256182
H -0.181358 -0.326807 -1.628222
H -0.747333 1.717017 -0.317980
H -0.563410 0.809369 1.208768
H 0.968555 -2.825756 -1.283662
H 0.427036 -3.642438 0.219191
H 2.927738 -3.011620 0.148432
H 2.046439 -2.433106 1.586409
H -1.828025 -3.019159 0.288451
H -1.598280 -2.464340 -1.395051
H 1.606327 2.062454 -0.942743
H -3.127190 2.314044 0.357325
H -4.294334 -2.492413 -0.342078
H 5.303091 -1.504295 0.911282
H 4.253563 3.173993 -0.754429
H -6.108857 -0.814956 -0.090293
H 7.101161 0.234879 0.742605
H 6.585928 2.538440 -0.075375
H -7.341008 0.864442 1.070560
H -7.347384 1.120543 -0.720229
H -7.606952 2.515977 0.393986


