%chk=000201509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201509

0 1
O -3.433885 1.324354 -1.224099
N -1.541934 0.091563 -0.791495
C -0.616472 -0.248335 0.325641
C -1.221605 0.532455 1.545533
C -0.653806 -1.776538 0.568986
C -2.438879 1.311862 1.028032
C 0.802920 0.252592 0.063395
C -2.584489 0.954537 -0.440689
C -0.024351 -2.593191 -0.567230
C 1.838790 -0.163379 0.917645
C 1.095077 1.144393 -0.976342
C -0.043590 -4.087857 -0.256456
C 3.143649 0.292687 0.723052
C 2.404229 1.599161 -1.170530
C 3.431183 1.174350 -0.324752
H -0.472049 1.216936 1.981285
H -1.509582 -0.157757 2.355472
H -1.706157 -2.095258 0.713640
H -0.139129 -2.009813 1.521464
H -2.312916 2.405379 1.139566
H -3.365613 1.056451 1.574181
H -1.437840 -0.328158 -1.703763
H 1.019449 -2.260139 -0.740991
H -0.563418 -2.406090 -1.516354
H 1.627906 -0.849011 1.737350
H 0.308204 1.501899 -1.641142
H 0.522673 -4.321944 0.652019
H -1.064682 -4.459742 -0.112514
H 0.400987 -4.665992 -1.075209
H 3.939183 -0.038376 1.388568
H 2.619275 2.289985 -1.984721
H 4.448772 1.528275 -0.477441


%chk=000201509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201509

0 1
O -3.327629 1.561230 -1.211850
N -1.627616 0.007353 -0.697772
C -0.665621 -0.345810 0.371318
C -1.328927 0.373873 1.608323
C -0.618629 -1.888862 0.575373
C -2.134831 1.547749 1.003714
C 0.744295 0.236532 0.099738
C -2.470604 1.078370 -0.422990
C -0.041334 -2.695322 -0.610373
C 1.806530 -0.037846 1.002722
C 1.009058 1.071944 -1.012592
C -0.010263 -4.211531 -0.319384
C 3.094686 0.499543 0.795681
C 2.299435 1.612462 -1.223882
C 3.348831 1.327988 -0.322904
H -0.570027 0.695488 2.339068
H -2.013899 -0.336344 2.107684
H -1.651857 -2.229668 0.785715
H -0.022565 -2.108137 1.483420
H -1.535983 2.474881 0.932558
H -3.059968 1.787969 1.551109
H -1.637269 -0.454071 -1.608349
H 0.980831 -2.337969 -0.839277
H -0.649842 -2.517687 -1.521311
H 1.629787 -0.674224 1.878701
H 0.202703 1.308273 -1.715000
H 0.619268 -4.431884 0.563371
H -1.025272 -4.600317 -0.113430
H 0.400720 -4.776499 -1.175513
H 3.898863 0.274215 1.505466
H 2.480834 2.257170 -2.091375
H 4.348195 1.746429 -0.485859


