%chk=000184506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184506

0 1
N 3.585446 0.431050 0.556167
C 2.920679 -0.607117 -0.309406
C 1.558921 -1.029077 0.319270
C 2.694409 -0.051120 -1.731822
C 1.776375 -1.558194 1.752959
C 3.847855 -0.113567 1.933195
C 4.886803 0.890599 -0.040570
C 2.532291 -0.534448 2.604734
C 4.008619 0.422011 -2.360456
C 4.666438 1.463193 -1.448631
C 0.579000 0.109102 0.349260
C -0.740645 0.025322 0.129648
C -1.679778 1.177812 0.194191
C -1.587381 -1.146310 -0.207301
C -3.012312 0.724047 -0.079202
C -2.955463 -0.723949 -0.328991
C -1.439160 2.515259 0.464086
C -1.258783 -2.477411 -0.404801
C -4.077857 1.608675 -0.077310
C -3.956457 -1.629506 -0.636939
C -2.527596 3.409127 0.463810
C -2.280516 -3.393962 -0.719084
C -3.821789 2.965521 0.198831
C -3.605426 -2.979388 -0.831695
H 3.556344 -1.529094 -0.386689
H 1.151242 -1.868969 -0.306423
H 1.979637 0.796375 -1.695174
H 2.219138 -0.824203 -2.361957
H 2.335494 -2.511566 1.715174
H 0.798866 -1.792369 2.217634
H 4.320661 0.697368 2.529525
H 4.558221 -0.968696 1.928154
H 5.648899 0.082100 -0.080013
H 5.290632 1.687630 0.621769
H 1.896471 0.359871 2.765950
H 2.742360 -0.948520 3.608008
H 3.817443 0.854334 -3.360259
H 4.690347 -0.433839 -2.522156
H 5.630887 1.798461 -1.870451
H 4.022171 2.363282 -1.384323
H 1.038086 1.077117 0.593501
H -0.434801 2.876501 0.672303
H -0.223490 -2.813944 -0.324515
H -5.089751 1.270247 -0.283449
H -4.991894 -1.311733 -0.728274
H -2.348248 4.462163 0.674700
H -2.024533 -4.440536 -0.874740
H -4.649438 3.672344 0.203708
H -4.382819 -3.701696 -1.073544


%chk=000184506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184506

0 1
N 3.566985 0.412621 0.569080
C 3.001727 -0.563769 -0.408224
C 1.611316 -1.070544 0.086194
C 2.895887 0.050310 -1.823797
C 1.773162 -1.737008 1.489102
C 3.738119 -0.196943 1.915936
C 4.854566 1.005329 0.115722
C 2.414215 -0.742386 2.480544
C 4.230564 0.656237 -2.303792
C 4.733365 1.678206 -1.262153
C 0.602172 0.058492 0.130985
C -0.763267 -0.022768 0.048912
C -1.671409 1.161135 0.093224
C -1.656575 -1.204812 -0.123942
C -3.024786 0.723370 -0.064237
C -3.017097 -0.745087 -0.199666
C -1.384092 2.532373 0.248284
C -1.388895 -2.590080 -0.202185
C -4.087513 1.650209 -0.067338
C -4.082840 -1.651309 -0.367412
C -2.451720 3.462097 0.246152
C -2.462175 -3.497969 -0.373670
C -3.792601 3.025303 0.089202
C -3.798483 -3.034555 -0.457796
H 3.674434 -1.464564 -0.469493
H 1.277509 -1.842198 -0.635944
H 2.119554 0.839859 -1.816472
H 2.547209 -0.737647 -2.519682
H 2.426656 -2.628387 1.384188
H 0.793183 -2.084556 1.864238
H 4.150185 0.576813 2.591280
H 4.487418 -1.033579 1.876563
H 5.655716 0.219404 0.062275
H 5.173783 1.742163 0.877533
H 1.718910 0.096491 2.668728
H 2.607685 -1.237293 3.451268
H 4.103250 1.132450 -3.294247
H 4.987123 -0.146990 -2.424718
H 5.717173 2.091787 -1.555664
H 4.020481 2.522814 -1.193587
H 1.050865 1.051947 0.277355
H -0.353339 2.884027 0.370864
H -0.370813 -2.980124 -0.124390
H -5.125104 1.319404 -0.188352
H -5.117941 -1.296312 -0.425055
H -2.242243 4.530920 0.367178
H -2.256682 -4.572455 -0.436505
H -4.604598 3.761145 0.089708
H -4.615437 -3.753276 -0.587791


