%chk=000114486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114486

0 1
N 0.900938 -0.618192 -0.016818
N 5.206742 1.698681 -0.756188
C -1.491688 -1.391716 0.244837
C -2.080132 -0.224855 -0.575371
C -0.169214 -1.010590 0.952002
C -1.311633 -2.632284 -0.656082
C -2.477519 0.971500 0.297916
C -3.115230 2.089824 -0.539066
C 2.033865 0.075124 0.672794
C -1.189435 -3.923593 0.149787
C 3.048323 0.545166 -0.380640
C -3.505499 3.288063 0.323329
C 4.306458 1.120414 0.286554
H -2.224515 -1.648943 1.051445
H -1.358660 0.094644 -1.352498
H -2.968578 -0.585085 -1.131294
H 0.209031 -1.896194 1.511980
H -0.377434 -0.222307 1.708415
H -0.409057 -2.503402 -1.288711
H -2.165109 -2.716188 -1.355712
H -3.183017 0.646042 1.086496
H -1.591079 1.365029 0.831633
H 0.502116 0.002314 -0.733012
H -2.413522 2.413645 -1.332531
H -4.008972 1.702630 -1.066542
H 2.509319 -0.660120 1.359655
H 1.707716 0.933861 1.299145
H -1.075007 -4.789417 -0.512212
H -2.070992 -4.100190 0.774799
H -0.312011 -3.901482 0.807721
H 3.313388 -0.301419 -1.045909
H 2.596992 1.312199 -1.042400
H -2.635567 3.723247 0.828111
H -3.962081 4.079206 -0.282094
H -4.228805 3.009816 1.098161
H 4.027259 1.949520 0.975987
H 4.799233 0.340249 0.906273
H 6.091205 1.975439 -0.341123
H 5.418874 1.008766 -1.470635


%chk=000114486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114486

0 1
N 0.786827 -0.343876 0.081473
N 5.364871 1.399346 -0.740126
C -1.516689 -1.353435 0.257748
C -2.207291 -0.217855 -0.550944
C -0.244219 -0.868884 1.003669
C -1.223255 -2.567326 -0.666430
C -2.575227 1.046573 0.259062
C -3.374025 2.078562 -0.570401
C 2.079730 -0.015656 0.719771
C -0.851635 -3.864401 0.085105
C 3.079720 0.533953 -0.315233
C -3.720198 3.355800 0.225138
C 4.453230 0.873078 0.297492
H -2.231374 -1.682583 1.045213
H -1.566307 0.066860 -1.412658
H -3.135097 -0.631964 -0.997409
H 0.201098 -1.723546 1.549101
H -0.538335 -0.124228 1.785612
H -0.399905 -2.287419 -1.351592
H -2.119014 -2.758991 -1.292307
H -3.171001 0.754370 1.149195
H -1.658380 1.535350 0.648366
H 0.432953 0.458636 -0.458433
H -2.788946 2.351258 -1.472888
H -4.307380 1.605531 -0.938498
H 2.483245 -0.945411 1.170380
H 1.974445 0.722527 1.557823
H -0.714862 -4.705047 -0.620183
H -1.644058 -4.151851 0.803010
H 0.092409 -3.752636 0.649186
H 3.199639 -0.218813 -1.120436
H 2.677548 1.451253 -0.789721
H -2.802592 3.864107 0.577384
H -4.289489 4.075931 -0.391105
H -4.331791 3.115386 1.115389
H 4.324062 1.658861 1.067357
H 4.842171 -0.033699 0.825748
H 6.248794 1.771168 -0.378519
H 5.517033 0.748474 -1.518139


