%chk=000271058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271058

0 1
S 1.695945 -1.004284 1.304301
O 6.735600 0.080894 0.162555
N 1.284351 0.570234 -0.770176
N -0.731926 -0.444954 0.325268
N -1.594806 0.353479 -0.158160
N -5.186716 1.023865 -0.533879
N -4.985918 -1.088621 0.723871
N -3.319437 2.198012 -1.262020
N -2.936381 -2.025567 1.250563
N -7.083733 -0.149543 0.218390
C 3.100551 -0.335802 0.509009
C 2.685489 0.478227 -0.578877
C 4.441121 -0.523000 0.827986
C 5.370208 0.136002 0.015085
C 3.647534 1.127821 -1.380462
C 4.987797 0.955844 -1.081752
C 0.630618 -0.135860 0.117273
C -2.942340 0.106805 -0.005388
C -3.817188 1.109503 -0.600591
C -3.611456 -0.999631 0.654532
C -5.714549 -0.071549 0.133815
C 7.270480 -0.720989 1.244206
H 4.737910 -1.147568 1.662790
H 3.322857 1.749947 -2.215733
H 5.768689 1.436100 -1.669991
H 6.996319 -1.771349 1.110111
H 6.935891 -0.329192 2.209077
H 8.351433 -0.576875 1.114491
H -2.321268 2.330367 -1.372111
H -3.941807 2.876994 -1.674458
H -3.444718 -2.775842 1.697697
H -1.922174 -2.066824 1.258746
H -7.522804 -0.936895 0.668358
H -7.662372 0.551153 -0.216828


%chk=000271058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271058

0 1
S 1.716041 -1.335351 1.268789
O 6.756513 0.135159 0.121839
N 1.191034 0.681013 -0.469128
N -0.775040 -0.482959 0.486252
N -1.610622 0.313297 -0.198321
N -5.182840 0.902309 -0.752414
N -4.994463 -0.982004 0.835487
N -3.253064 1.939772 -1.595091
N -2.881858 -1.755030 1.519163
N -7.056947 -0.169044 0.120277
C 3.085332 -0.427393 0.521248
C 2.582828 0.590521 -0.361830
C 4.464400 -0.628878 0.725090
C 5.360287 0.213690 0.022331
C 3.509677 1.417797 -1.051131
C 4.883679 1.229005 -0.859388
C 0.573909 -0.214687 0.284098
C -2.955581 0.101993 -0.043071
C -3.826773 0.989774 -0.804189
C -3.632517 -0.891936 0.781675
C -5.689565 -0.082040 0.067389
C 7.319313 -0.881606 1.013537
H 4.823687 -1.407386 1.402128
H 3.131473 2.192664 -1.723824
H 5.621895 1.849354 -1.375462
H 7.034325 -1.901907 0.690495
H 6.998069 -0.718932 2.060897
H 8.409467 -0.759602 0.936822
H -2.231821 1.985406 -1.617751
H -3.842979 2.568832 -2.134490
H -3.354590 -2.449732 2.096790
H -1.850201 -1.641401 1.440372
H -7.485208 -0.877385 0.710689
H -7.614660 0.477588 -0.431580


