%chk=000269636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269636

0 1
O -6.562643 -1.596124 0.362937
O 0.906626 -1.279688 0.258452
N -4.127005 -0.173809 0.039188
N 5.418545 -0.363504 -0.261178
N 1.900362 0.764181 0.508359
N -0.480744 1.943209 -0.414370
C -4.127799 -1.664813 0.112171
C -5.396141 0.359928 -0.535535
C -5.345895 -2.115938 0.935072
C -6.572571 -0.156711 0.311162
C -2.922496 0.506920 -0.187375
C 4.050819 0.149262 -0.589994
C 3.249395 0.196502 0.730893
C 6.453256 0.170859 -1.207508
C 5.431662 -1.865789 -0.227089
C -1.673911 -0.117717 0.076995
C -2.902856 1.868013 -0.578986
C -0.505372 0.629463 -0.043101
C 0.821513 -0.058549 0.232899
C 6.728052 1.645536 -0.908390
C 6.630901 -2.356129 0.585301
C -1.676309 2.533558 -0.672586
H -4.165764 -2.112163 -0.907026
H -3.189605 -2.025978 0.594986
H -5.383239 1.473259 -0.525066
H -5.518199 0.039158 -1.595068
H -5.273621 -1.794159 1.989215
H -5.502955 -3.208297 0.876949
H -7.548144 0.058694 -0.160682
H -6.546356 0.244559 1.339965
H 4.122800 1.171372 -1.020163
H 3.512707 -0.467149 -1.341706
H 3.783336 0.815390 1.485521
H 3.154536 -0.829878 1.161031
H 6.169896 0.041305 -2.274145
H 7.390935 -0.410812 -1.054830
H 5.442177 -2.319490 -1.241349
H 4.493181 -2.215055 0.262310
H -1.608497 -1.168366 0.370876
H -3.824342 2.401029 -0.795820
H 1.830425 1.774790 0.387863
H 5.871478 2.282334 -1.155841
H 7.591455 2.007221 -1.475363
H 6.938662 1.793204 0.159803
H 6.568796 -3.434307 0.763917
H 6.672728 -1.853434 1.561374
H 7.581532 -2.150993 0.080810
H -1.631310 3.588703 -0.970278


%chk=000269636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269636

0 1
O -6.527712 -1.790421 0.046327
O 0.987394 -1.158486 0.633371
N -4.084293 -0.221505 -0.055750
N 5.358634 -0.385757 -0.356350
N 1.910335 0.989402 0.463878
N -0.475493 2.110206 -0.018456
C -4.057547 -1.698002 -0.197699
C -5.389994 0.377897 -0.412925
C -5.252109 -2.344862 0.524056
C -6.542192 -0.346216 0.309618
C -2.906622 0.534054 -0.072798
C 4.021931 0.190469 -0.637066
C 3.297355 0.568534 0.682624
C 6.384675 -0.044066 -1.375672
C 5.294174 -1.843084 -0.052734
C -1.623590 -0.055002 0.159923
C -2.904627 1.950426 -0.297813
C -0.475478 0.750592 0.182307
C 0.867056 0.097208 0.443835
C 6.868719 1.415063 -1.271892
C 6.438629 -2.316698 0.863457
C -1.694759 2.669432 -0.255304
H -4.087801 -1.972231 -1.274730
H -3.129433 -2.105893 0.229841
H -5.415184 1.436861 -0.108858
H -5.550471 0.328443 -1.512340
H -5.162850 -2.187600 1.620766
H -5.294933 -3.424454 0.307702
H -7.515118 0.016748 -0.059967
H -6.468929 -0.164071 1.404051
H 4.138332 1.098571 -1.256467
H 3.370994 -0.512124 -1.208946
H 3.856448 1.374445 1.189023
H 3.280634 -0.310926 1.350277
H 6.016478 -0.248048 -2.413732
H 7.250629 -0.712385 -1.216026
H 5.284884 -2.449925 -0.993419
H 4.329250 -2.041658 0.449090
H -1.462352 -1.120827 0.336292
H -3.819840 2.503578 -0.518808
H 1.651368 1.967235 0.280790
H 6.043376 2.133581 -1.428536
H 7.642420 1.622871 -2.034853
H 7.296153 1.601780 -0.271315
H 6.336631 -3.396314 1.082058
H 6.417534 -1.758067 1.815403
H 7.430411 -2.161015 0.400662
H -1.703121 3.751842 -0.428294


